 Entering Gaussian System, Link 0=g16
 Input=30_ibuprofen_conformer05_STD_B3LYPDBJ_def2SVPD.in
 Output=30_ibuprofen_conformer05_STD_B3LYPDBJ_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
            -H     0
            S    3   1.00
                 13.0107010              0.19682158D-01
                  1.9622572              0.13796524
                  0.44453796             0.47831935
            S    1   1.00
                  0.12194962             1.0000000
            P    1   1.00
                  0.8000000              1.0000000
            P    1   1.00
                  0.11704099050          1.0000000
            ****
            -He     0
            S    3   1.00
                 38.354936737            0.23814288905D-01
                  5.7689081479           0.15490906777
                  1.2399407035           0.46998096633
            S    1   1.00
                  0.29757815953          1.0000000
            P    1   1.00
                  1.0000000              1.0000000
            P    1   1.00
                  0.22039119441          1.0000000
            ****
            -Li     0
            S    5   1.00
                266.27785516             0.64920150325D-02
                 40.069783447            0.47747863215D-01
                  9.0559944389           0.20268796111
                  2.4503009051           0.48606574817
                  0.72209571855          0.43626977955
            S    1   1.00
                  0.52810884721D-01      1.0000000
            S    1   1.00
                  0.20960948798D-01      1.0000000
            P    2   1.00
                  1.4500000              0.2586000
                  0.3000000              1.0000000
            P    1   1.00
                  0.0820000              1.0000000
            P    1   1.00
                  0.26347662457D-01      1.0000000
            ****
            -Be     0
            S    5   1.00
                515.18616125             0.55615307983D-02
                 77.511037595            0.41190068062D-01
                 17.552481693            0.17913378108
                  4.8028940596           0.44736716455
                  1.4516214316           0.42009581920
            S    1   1.00
                  0.13281633620          1.0000000
            S    1   1.00
                  0.45837372213D-01      1.0000000
            P    3   1.00
                  3.6316917145          -0.29033998305D-01
                  0.71695694366         -0.16877854032
                  0.19541932860         -0.51403419628
            P    1   1.00
                  0.60515465890D-01      1.0000000
            P    1   1.00
                  0.30181880660D-01      1.0000000
            ****
            -B     0
            S    5   1.00
                839.31830086            -0.55929201074D-02
                126.26464843            -0.41565520771D-01
                 28.620600763           -0.18299816983
                  7.8793722710          -0.46540391866
                  2.4088857172          -0.44173884791
            S    1   1.00
                  0.25105109036          1.0000000
            S    1   1.00
                  0.83648866069D-01      1.0000000
            S    1   1.00
                  0.42351565332D-01      1.0000000
            P    3   1.00
                  6.0332223619          -0.35603672456D-01
                  1.2499157866          -0.19895775769
                  0.33871676350         -0.50850202618
            P    1   1.00
                  0.96415632351D-01      1.0000000
            D    1   1.00
                  0.5000000              1.0000000
            D    1   1.00
                  0.74392443101D-01      1.0000000
            ****
            -C     0
            S    5   1.00
               1238.4016938              0.54568832082D-02
                186.29004992             0.40638409211D-01
                 42.251176346            0.18025593888
                 11.676557932            0.46315121755
                  3.5930506482           0.44087173314
            S    1   1.00
                  0.40245147363          1.0000000
            S    1   1.00
                  0.13090182668          1.0000000
            S    1   1.00
                  0.67053540256D-01      1.0000000
            P    3   1.00
                  9.4680970621           0.38387871728D-01
                  2.0103545142           0.21117025112
                  0.54771004707          0.51328172114
            P    1   1.00
                  0.15268613795          1.0000000
            D    1   1.00
                  0.8000000              1.0000000
            D    1   1.00
                  0.11713185140          1.0000000
            ****
            -N     0
            S    5   1.00
               1712.8415853             -0.53934125305D-02
                257.64812677            -0.40221581118D-01
                 58.458245853           -0.17931144990
                 16.198367905           -0.46376317823
                  5.0052600809          -0.44171422662
            S    1   1.00
                  0.58731856571          1.0000000
            S    1   1.00
                  0.18764592253          1.0000000
            S    1   1.00
                  0.96171241529D-01      1.0000000
            P    3   1.00
                 13.571470233           -0.40072398852D-01
                  2.9257372874          -0.21807045028
                  0.79927750754         -0.51294466049
            P    1   1.00
                  0.21954348034          1.0000000
            D    1   1.00
                  1.0000000              1.0000000
            D    1   1.00
                  0.16697708112          1.0000000
            ****
            -O     0
            S    5   1.00
               2266.1767785             -0.53431809926D-02
                340.87010191            -0.39890039230D-01
                 77.363135167           -0.17853911985
                 21.479644940           -0.46427684959
                  6.6589433124          -0.44309745172
            S    1   1.00
                  0.80975975668          1.0000000
            S    1   1.00
                  0.25530772234          1.0000000
            S    1   1.00
                  0.76572453250D-01      1.0000000
            P    3   1.00
                 17.721504317            0.43394573193D-01
                  3.8635505440           0.23094120765
                  1.0480920883           0.51375311064
            P    1   1.00
                  0.27641544411          1.0000000
            P    1   1.00
                  0.69002276350D-01      1.0000000
            D    1   1.00
                  1.2000000              1.0000000
            D    1   1.00
                  0.17992024323          1.0000000
            ****
            -F     0
            S    5   1.00
               2894.8325990             -0.53408255515D-02
                435.41939120            -0.39904258866D-01
                 98.843328866           -0.17912768038
                 27.485198001           -0.46758090825
                  8.5405498171          -0.44653131020
            S    1   1.00
                  1.0654578038           1.0000000
            S    1   1.00
                  0.33247346748          1.0000000
            S    1   1.00
                  0.98097752264D-01      1.0000000
            P    3   1.00
                 22.696633924           -0.45212874436D-01
                  4.9872339257          -0.23754317067
                  1.3491613954          -0.51287353587
            P    1   1.00
                  0.34829881977          1.0000000
            P    1   1.00
                  0.83372148304D-01      1.0000000
            D    1   1.00
                  1.4000000              1.0000000
            D    1   1.00
                  0.22301361948          1.0000000
            ****
            -Ne     0
            S    5   1.00
               3598.9736625             -0.53259297003D-02
                541.32073112            -0.39817417969D-01
                122.90450062            -0.17914358188
                 34.216617022           -0.46893582977
                 10.650584124           -0.44782537577
            S    1   1.00
                  1.3545953960           1.0000000
            S    1   1.00
                  0.41919362639          1.0000000
            S    1   1.00
                  0.12055043545          1.0000000
            P    3   1.00
                 28.424053785           -0.46031944795D-01
                  6.2822510953          -0.23993183041
                  1.6978715079          -0.50871724964
            P    1   1.00
                  0.43300700172          1.0000000
            P    1   1.00
                  0.10141942051          1.0000000
            D    1   1.00
                  1.8880000              1.0000000
            D    1   1.00
                  0.28026803041          1.0000000
            ****
            -Na     0
            S    5   1.00
               4098.2003908             -0.58535911879D-02
                616.49374031            -0.43647161872D-01
                139.96644001            -0.19431465884
                 39.073441051           -0.48685065731
                 11.929847205           -0.41881705137
            S    3   1.00
                 20.659966030            0.85949689854D-01
                  1.9838860978          -0.56359144041
                  0.64836323942         -0.51954009048
            S    1   1.00
                  0.52443967404D-01      1.0000000
            S    1   1.00
                  0.28048160742D-01      1.0000000
            P    5   1.00
                 75.401862017            0.154353625324D-01
                 17.274818978            0.997382931840D-01
                  5.1842347425           0.312095939659
                  1.6601211973           0.492956748074
                  0.51232528958          0.324203983180
            P    1   1.00
                  0.0520000              1.0000000
            P    1   1.00
                  0.19853008514D-01      1.0000000
            D    1   1.00
                  0.1310000              1.0000000
            ****
            -Mg     0
            S    5   1.00
               4953.8339196             -0.57778967498D-02
                745.18044154            -0.43124761082D-01
                169.21604972            -0.19268216987
                 47.300672019           -0.48641439116
                 14.461336973           -0.42550894077
            S    3   1.00
                 24.768174789            0.87956969984D-01
                  2.4940945349          -0.55165058128
                  0.87807584533         -0.53443294833
            S    1   1.00
                  0.87212782497D-01      1.0000000
            S    1   1.00
                  0.33599293780D-01      1.0000000
            P    5   1.00
                 98.053010494           -0.14480564601D-01
                 22.586932277           -0.95495750787D-01
                  6.8391509842          -0.30787672651
                  2.2332843818          -0.49936292886
                  0.71606599387         -0.31503476213
            P    1   1.00
                  0.18914796195          1.0000000
            P    1   1.00
                  0.53768755187D-01      1.0000000
            P    1   1.00
                  0.23963578287D-01      1.0000000
            D    1   1.00
                  0.1010000              1.0000000
            ****
            -Al     0
            S    5   1.00
               5887.5727030              0.13483347987D-02
                885.61225996             0.10071576809D-01
                201.13604899             0.45132454056D-01
                 56.284974674            0.11461268043
                 17.229551243            0.10159608943
            S    3   1.00
                 29.340249922            0.69347454208D-01
                  3.0439630420          -0.42528117679
                  1.1285539518          -0.41449832210
            S    1   1.00
                  0.14234175160          1.0000000
            S    1   1.00
                  0.54400192313D-01      1.0000000
            S    1   1.00
                  0.32535359511D-01      1.0000000
            P    5   1.00
                145.11918809             0.63963373134D-02
                 33.717894833            0.44189359965D-01
                 10.369863083            0.15581575993
                  3.5135616036           0.28635286951
                  1.1980050273           0.22921423248
            P    1   1.00
                  0.26583005913          1.0000000
            P    1   1.00
                  0.71003361994D-01      1.0000000
            D    1   1.00
                  0.3000000              1.0000000
            D    1   1.00
                  0.53071685831D-01      1.0000000
            ****
            -Si     0
            S    5   1.00
               6903.7118686              0.13373962995D-02
               1038.4346419              0.99966546241D-02
                235.87581480             0.44910165101D-01
                 66.069385169            0.11463638540
                 20.247945761            0.10280063858
            S    3   1.00
                 34.353481730            0.70837285010D-01
                  3.6370788192          -0.43028836252
                  1.4002048599          -0.41382774969
            S    1   1.00
                  0.20484414805          1.0000000
            S    1   1.00
                  0.77994095468D-01      1.0000000
            S    1   1.00
                  0.46834778282D-01      1.0000000
            P    5   1.00
                179.83907373             0.61916656462D-02
                 41.907258846            0.43399431982D-01
                 12.955294367            0.15632019351
                  4.4383267393           0.29419996982
                  1.5462247904           0.23536823814
            P    1   1.00
                  0.35607612302          1.0000000
            P    1   1.00
                  0.10008513762          1.0000000
            D    1   1.00
                  0.3500000              1.0000000
            D    1   1.00
                  0.74117707708D-01      1.0000000
            ****
            -P     0
            S    5   1.00
               8002.4795106              0.57503489302D-02
               1203.6813590              0.43007628959D-01
                273.44227031             0.19363986252
                 76.655541517            0.49651693399
                 23.516927435            0.44983262479
            S    3   1.00
                 39.791683439            0.95188129789D-01
                  4.2770343323          -0.57649840368
                  1.6940256888          -0.54239583865
            S    1   1.00
                  0.27567674644          1.0000000
            S    1   1.00
                  0.10495590099          1.0000000
            S    1   1.00
                  0.64309734755D-01      1.0000000
            P    5   1.00
                219.50755823             0.92100565257D-02
                 51.274155030            0.65409765745D-01
                 15.921595892            0.24033730279
                  5.5069913481           0.46318321788
                  1.9537719426           0.37392563382
            P    1   1.00
                  0.47803397932          1.0000000
            P    1   1.00
                  0.13657952621          1.0000000
            D    1   1.00
                  0.4500000              1.0000000
            D    1   1.00
                  0.99587311089D-01      1.0000000
            ****
            -S     0
            S    5   1.00
               9184.9303010             -0.22294387756D-02
               1381.5105503             -0.16683029937D-01
                313.87147580            -0.75262436116D-01
                 88.053870623           -0.19376827038
                 27.039914905           -0.17718020803
            S    3   1.00
                 45.648731303           -0.10736062573
                  4.9664522326           0.65066293018
                  2.0116242047           0.59712155354
            S    1   1.00
                  0.35661077013          1.0000000
            S    1   1.00
                  0.13507221477          1.0000000
            S    1   1.00
                  0.44999823506D-01      1.0000000
            P    5   1.00
                261.98233439            -0.92729929822D-02
                 61.306894736           -0.66547669241D-01
                 19.103729887           -0.24828595903
                  6.6567720378          -0.48703847402
                  2.3959635161          -0.39337850312
            P    1   1.00
                  0.61776161679          1.0000000
            P    1   1.00
                  0.16993376871          1.0000000
            P    1   1.00
                  0.41706793676D-01      1.0000000
            D    1   1.00
                  0.5500000              1.0000000
            D    1   1.00
                  0.10172853717          1.0000000
            ****
            -Cl     0
            S    5   1.00
              10449.8275660              0.19708362484D-02
               1571.7365221              0.14754727977D-01
                357.12065523             0.66679112875D-01
                100.25185935             0.17228924084
                 30.812727554            0.15883786100
            S    3   1.00
                 51.923789434           -0.10009298909
                  5.7045760975           0.60841752753
                  2.3508376809           0.54352153355
            S    1   1.00
                  0.44605124672          1.0000000
            S    1   1.00
                  0.16848856190          1.0000000
            S    1   1.00
                  0.55344229413D-01      1.0000000
            P    5   1.00
                307.66790569            -0.87801484118D-02
                 72.102015515           -0.63563355471D-01
                 22.532680262           -0.24016428276
                  7.8991765444          -0.47798866557
                  2.8767268321          -0.38515850005
            P    1   1.00
                  0.77459363955          1.0000000
            P    1   1.00
                  0.21037699698          1.0000000
            P    1   1.00
                  0.50046271086D-01      1.0000000
            D    1   1.00
                  0.6500000              1.0000000
            D    1   1.00
                  0.12284803390          1.0000000
            ****
            -Ar     0
            S    5   1.00
              11797.1197650              0.20214479973D-02
               1774.3522753              0.15139852688D-01
                403.18875733             0.68525400873D-01
                113.24933999             0.17762929207
                 34.835298193            0.16496495001
            S    3   1.00
                 58.614775042           -0.10343394000
                  6.4922045078           0.63133365899
                  2.7117014403           0.54887572301
            S    1   1.00
                  0.54412974538          1.0000000
            S    1   1.00
                  0.20517411136          1.0000000
            S    1   1.00
                  0.66442487045D-01      1.0000000
            P    5   1.00
                356.28707256            -0.87321783271D-02
                 83.593132866           -0.63680317444D-01
                 26.186704029           -0.24311906886
                  9.2257275925          -0.48956069653
                  3.3922754954          -0.39229190040
            P    1   1.00
                  0.94740534010          1.0000000
            P    1   1.00
                  0.25659135062          1.0000000
            P    1   1.00
                  0.59491455142D-01      1.0000000
            D    1   1.00
                  0.6960000              1.0000000
            D    1   1.00
                  0.14309493859          1.0000000
            ****
            -K     0
            S    6   1.00
              31478.7467640              0.39838653994D-02
               4726.8876066              0.30501759762D-01
               1075.4345353              0.15073752622
                303.39811023             0.51912939801
                 98.327112831            1.0366957005
                 33.636222177            0.76398963199
            S    3   1.00
                 65.639209962           -0.28242617106
                  7.3162592218           1.6914935860
                  2.8902580135           1.2965331953
            S    3   1.00
                  4.5459748965          -0.76343555273D-02
                  0.70404124062          0.25635718960D-01
                  0.28266888959          0.16606859208D-01
            S    1   1.00
                  0.29058164020D-01      1.0000000
            S    1   1.00
                  0.12111638157D-01      1.0000000
            P    5   1.00
                361.22492154             0.20906479823D-01
                 84.670222166            0.15043641740
                 26.469088236            0.55440061077
                  9.2658077615           1.0409009991
                  3.3423388293           0.67825341194
            P    3   1.00
                  1.5100876104           0.75248191146
                  0.56568375163          1.3708585031
                  0.20817008495          0.66047633079
            P    1   1.00
                  0.0417370              1.0000000
            P    1   1.00
                  0.16603217986D-01      1.0000000
            D    1   1.00
                  0.3530000              1.0000000
            D    1   1.00
                  0.0980000              1.0000000
            ****
            -Ca     0
            S    6   1.00
              35138.7139290              0.39482520740D-02
               5276.4111348              0.30234243552D-01
               1200.4692589              0.14952019681
                338.71810542             0.51597345713
                109.85385922             1.0339510296
                 37.608880299            0.76937933526
            S    3   1.00
                 73.107977555           -0.28268525011
                  8.2407705688           1.6796092142
                  3.2959812993           1.2803766016
            S    3   1.00
                  5.2341800914          -0.76868604561D-02
                  0.84187220515          0.25382375978D-01
                  0.36510294029          0.16512171511D-01
            S    1   1.00
                  0.51222402884D-01      1.0000000
            S    1   1.00
                  0.19825111408D-01      1.0000000
            P    5   1.00
                413.11313893             0.20327135354D-01
                 96.935786224            0.14730276362
                 30.372154659            0.54887167322
                 10.684776830            1.0440659818
                  3.8821258350           0.68653490684
            P    3   1.00
                  1.7993016295           0.75410246871
                  0.69189056530          1.3409296599
                  0.26364024096          0.56391989435
            P    1   1.00
                  0.0749790              1.0000000
            P    1   1.00
                  0.23809355789D-01      1.0000000
            D    3   1.00
                  5.4979093879           0.73770011433D-01
                  1.3177128032           0.26052853169
                  0.32188682649          0.45233836380
            D    1   1.00
                  0.70528614919D-01      1.0000000
            ****
            -Sc     0
            S    6   1.00
              38956.0818040              0.39293205858D-02
               5849.5733637              0.30093221229D-01
               1330.8813154              0.14890370950
                375.55534165             0.51464282906
                121.87261370             1.0337708070
                 41.760243729            0.77436851627
            S    3   1.00
                 81.060633953           -0.28318552316
                  9.2059823972           1.6770806984
                  3.7063215732           1.2594733678
            S    3   1.00
                  5.9888909988          -0.77821367493D-02
                  0.97363432378          0.25499692745D-01
                  0.42041019223          0.16191560820D-01
            S    1   1.00
                  0.59440551913D-01      1.0000000
            S    1   1.00
                  0.22897806303D-01      1.0000000
            P    5   1.00
                466.31481262             0.19984300385D-01
                109.51217097             0.14561043072
                 34.375921827            0.54687466223
                 12.142096955            1.0479006012
                  4.4336767669           0.68894890327
            P    3   1.00
                  2.0971291866           0.75619214724
                  0.80977606956          1.3178212235
                  0.30834046588          0.54312268173
            P    1   1.00
                  0.0897480              1.0000000
            P    1   1.00
                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
                222.93325020            -0.11198808009
                 26.726257934            0.64752124207
                 11.124501923            0.44241976651
            S    3   1.00
                 19.888520061           -0.22857227762
                  3.3668473803           0.73591359951
                  1.5249277839           0.44330199577
            S    1   1.00
                  0.29630037912          1.0000000
            S    1   1.00
                  0.11009288974          1.0000000
            S    1   1.00
                  0.42167294728D-01      1.0000000
            P    5   1.00
               1455.9068120              0.88203597043D-02
                343.75101831             0.66875851967D-01
                109.29554964             0.26640578080
                 39.707711022            0.53834928422
                 14.950185232            0.36303281993
            P    3   1.00
                  8.0208962094           0.34153807025
                  3.2934649756           0.57257906583
                  1.4058602438           0.25549813222
            P    1   1.00
                  0.45076123226          1.0000000
            P    1   1.00
                  0.13353413325          1.0000000
            P    1   1.00
                  0.34396697938D-01      1.0000000
            D    4   1.00
                 94.494024044            0.23490101098D-01
                 27.188185260            0.13747735767D+00
                  9.5091567352           0.36649929124D+00
                  3.4170516853           0.48750989884D+00
            D    1   1.00
                  1.1479590083            .27657943383D+00
            D    1   1.00
                  0.3380000              1.0000000
            D    1   1.00
                  0.82767380906D-01      1.0000000
            ****
            -Br     0
            S    6   1.00
             113286.3877600              0.14283037779D-02
              17009.6263030              0.10950417496D-01
               3870.1842567              0.54421006604D-01
               1093.0357227              0.19047907695
                356.39721797             0.39024642737
                123.12539643             0.30814432514
            S    3   1.00
                236.74084007            -0.11228065671
                 28.468661070            0.64775962312
                 11.883443722            0.44235575986
            S    3   1.00
                 21.269633312           -0.22642576323
                  3.6129226841           0.73823712008
                  1.6626648969           0.42683868694
            S    1   1.00
                  0.34823793232          1.0000000
            S    1   1.00
                  0.13019031394          1.0000000
            S    1   1.00
                  0.50966709763D-01      1.0000000
            P    5   1.00
               1560.2801881              0.87166669072D-02
                368.47859205             0.66243637420D-01
                117.22978849             0.26495610385
                 42.648909248            0.53839160587
                 16.087225096            0.36579387888
            P    3   1.00
                  8.6352810058           0.34248787366
                  3.5613665502           0.57500678213
                  1.5292626609           0.24330394172
            P    1   1.00
                  0.53064294848          1.0000000
            P    1   1.00
                  0.15702758965          1.0000000
            P    1   1.00
                  0.39636841846D-01      1.0000000
            D    4   1.00
                104.85518642             0.22650147581D-01
                 30.281143688            0.13455483230
                 10.651394267            0.36474454537
                  3.8699456233           0.49044587056
            D    1   1.00
                  1.3240876762            .27137289040
            D    1   1.00
                  0.3890000              1.0000000
            D    1   1.00
                  0.96543342393D-01      1.0000000
            ****
            -Kr     0
            S    6   1.00
             120165.6487500              0.14294234496D-02
              18042.5001690              0.10959597020D-01
               4105.1800388              0.54479647470D-01
               1159.4447248              0.19081239122
                378.13810346             0.39140445949
                130.67610045             0.31007346689
            S    3   1.00
                250.96373353            -0.11258604011
                 30.265930380            0.64816322524
                 12.668110757            0.44240238994
            S    3   1.00
                 22.697940101           -0.22391964908
                  3.8673017398           0.74060953026
                  1.8013706671           0.40803658445
            S    1   1.00
                  0.40308639136          1.0000000
            S    1   1.00
                  0.15170527749          1.0000000
            S    1   1.00
                  0.60450731670D-01      1.0000000
            P    5   1.00
               1668.5736623              0.86215009803D-02
                394.13862798             0.65665506884D-01
                125.46644854             0.26366576697
                 45.704992729            0.53867658574
                 17.270133229            0.36865167502
            P    3   1.00
                  9.2699487770           0.34346189015
                  3.8364617719           0.57784776196
                  1.6467163312           0.23075615197
            P    1   1.00
                  0.61479686489          1.0000000
            P    1   1.00
                  0.18319467414          1.0000000
            P    1   1.00
                  0.45792563991D-01      1.0000000
            D    4   1.00
                115.55868603             0.21945485333D-01
                 33.477985864            0.13211212879
                 11.834450207            0.36333306964
                  4.3408254894           0.49300484446
            D    1   1.00
                  1.5079273157            .26676858913
            D    1   1.00
                  0.4430000              1.0000000
            D    1   1.00
                  0.11235044486          1.0000000
            ****
            -Rb     0
            S    3   1.00
                  4.6687885071           0.29008526793
                  2.9442428420          -0.67740090428
                  0.58171262989          0.45712389487
            S    1   1.00
                  0.45147933555          1.0000000
            S    1   1.00
                  0.21604923532          1.0000000
            S    1   1.00
                  0.32088816526D-01      1.0000000
            S    1   1.00
                  0.13833878175D-01      1.0000000
            P    4   1.00
                  5.5234179480           0.51234729472D-01
                  3.4120149646          -0.17337025646
                  0.76899021792          0.43339683188
                  0.33088071786          0.55354332721
            P    1   1.00
                  0.13423268441          1.0000000
            P    1   1.00
                  0.20642679613D-01      1.0000000
            P    1   1.00
                  0.43243763156D-02      1.0000000
            D    1   1.00
                  0.2260000              1.0000000
            D    1   1.00
                  0.27432280711D-01      1.0000000
            ****
            -Sr     0
            S    3   1.00
                  5.9276428767           0.19698765364
                  3.0691274814          -0.64852205985
                  0.70675488028          0.62064729022
            S    1   1.00
                  0.33824024280          1.0000000
            S    1   1.00
                  0.61768869200D-01      1.0000000
            S    1   1.00
                  0.25767593093D-01      1.0000000
            P    4   1.00
                  2.4324720000          -0.37145059848
                  1.6642340000           0.37856824234
                  0.59455471858          0.59874487803
                  0.26152621998          0.35314019512
            P    1   1.00
                  0.10258814042          1.0000000
            P    1   1.00
                  0.33223404030D-01      1.0000000
            P    1   1.00
                  0.16570352270D-01      1.0000000
            D    4   1.00
                  3.6180810000          -0.75010000000D-02
                  0.99665600000          0.10809800000
                  0.39073500000          0.27854000000
                  0.12277000000          0.47731800000
            D    1   1.00
                  0.36655000000D-01       .44818300000
            ****
            -Y     0
            S    3   1.00
                  5.1329580000          -1.3864845457
                  4.2401920000           1.9459581166
                  1.2982800000           0.44182603154
            S    1   1.00
                  0.82904954347          1.0000000
            S    1   1.00
                  0.34752758911          1.0000000
            S    1   1.00
                  0.68418878574D-01      1.0000000
            S    1   1.00
                  0.27323992904D-01      1.0000000
            P    4   1.00
                  2.7279200000          -0.37249884911871
                  1.9790500000           0.32572065995957
                  0.79980886805          0.50094655502482
                  0.38409397354          0.44385929492812
            P    1   1.00
                  0.16173582264          1.0000000
            P    1   1.00
                  0.69700000000D-01      1.0000000
            P    1   1.00
                  0.0300000              1.0000000
            D    4   1.00
                  3.9030833060          -0.0098209792625124
                  1.1363234302           0.19183629664092
                  0.45617043877          0.40597788538820
                  0.17470950748          0.43861485518224
            D    1   1.00
                  0.61978796638D-01      1.0000000
            F    1   1.00
                  0.2651500              1.0000000
            ****
            -Zr     0
            S    3   1.00
                  5.8737890000           0.54255558714
                  4.2872700000          -0.95241333244
                  1.4641370000          -0.13703926411
            S    1   1.00
                  0.83727682345           .88521584390
            S    1   1.00
                  0.36849806511          1.0000000
            S    1   1.00
                  0.77806859124D-01      1.0000000
            S    1   1.00
                  0.30273088330D-01      1.0000000
            P    4   1.00
                  2.8742240000          -0.46624086918
                  2.1199010000           0.45883133891
                  0.78845821105          0.58853912475
                  0.36332579847          0.35822232244
            P    1   1.00
                  0.14951762021          1.0000000
            P    1   1.00
                  0.67000000000D-01      1.0000000
            P    1   1.00
                  0.30000000000D-01      1.0000000
            D    4   1.00
                  4.2898623878          -0.12212868080D-01
                  1.3615557498           0.19692423520
                  0.56937550689          0.42057831659
                  0.22674948677          0.42757027999
            D    1   1.00
                  0.83011031631D-01      1.0000000
            F    1   1.00
                  0.3926100              1.0000000
            ****
            -Nb     0
            S    3   1.00
                  6.5663010000          -0.94917907866
                  4.5864380000           1.5736372883
                  3.7537700000           0.36380422981
            S    1   1.00
                  0.84187717437          1.0000000
            S    1   1.00
                  0.38160666177          1.0000000
            S    1   1.00
                  0.85819911368D-01      1.0000000
            S    1   1.00
                  0.32702330370D-01      1.0000000
            P    4   1.00
                  3.0700630000          -0.51025115881
                  2.2379640000           0.53570598017
                  0.80801969671          0.63102216351
                  0.35783343432          0.30205908942
            P    1   1.00
                  0.13820085283          1.0000000
            P    1   1.00
                  0.70500000000D-01      1.0000000
            P    1   1.00
                  0.0360000              1.0000000
            D    4   1.00
                  4.6170975867          -0.13574476955D-01
                  1.5663438480           0.20374310496
                  0.66952425826          0.42997453105
                  0.27140946867          0.4179975484761
            D    1   1.00
                  0.10054426592          1.0000000
            F    1   1.00
                  0.5227000              1.0000000
            ****
            -Mo     0
            S    3   1.00
                  7.2033800000          -0.89310617237
                  5.0522950000           1.6074095756
                  2.9135330000           0.27804186088
            S    1   1.00
                  0.97858218681          1.0000000
            S    1   1.00
                  0.44369153753          1.0000000
            S    1   1.00
                  0.92150090705D-01      1.0000000
            S    1   1.00
                  0.34802246935D-01      1.0000000
            P    4   1.00
                  3.1518660000          -0.71873040872
                  2.4534820000           0.76442887870
                  0.85030192180          0.64808585640
                  0.36918237179          0.26792115234
            P    1   1.00
                  0.13490627460          1.0000000
            P    1   1.00
                  0.71800000000D-01      1.0000000
            P    1   1.00
                  0.38200000000D-01      1.0000000
            D    4   1.00
                  5.0044445497          -0.21587364862D-01
                  1.7736823324           0.20958680086
                  0.76950591696          0.43730880599
                  0.31530878939          0.41123927009
            D    1   1.00
                  0.11754374390          1.0000000
            F    1   1.00
                  0.6554500              1.0000000
            ****
            -Tc     0
            S    3   1.00
                  7.4344020000          -1.1436289973
                  5.5513270000           1.8752000559
                  3.0230860000           0.23952854431
            S    1   1.00
                  1.0647443990           1.0000000
            S    1   1.00
                  0.48127808497          1.0000000
            S    1   1.00
                  0.98299016952D-01      1.0000000
            S    1   1.00
                  0.36659977936D-01      1.0000000
            P    4   1.00
                  3.4490050000          -0.72277510434
                  2.6927370000           0.76458962802
                  0.94427370692          0.64533225171
                  0.41348148619          0.27195668811
            P    1   1.00
                  0.15488152305          1.0000000
            P    1   1.00
                  0.79000000000D-01      1.0000000
            P    1   1.00
                  0.40300000000D-01      1.0000000
            D    4   1.00
                  5.0906268699          -0.32176405405D-01
                  2.0156178510           0.21280802536
                  0.88113887240          0.44403309175
                  0.36427094833          0.40796933085
            D    1   1.00
                  0.13678402297          1.0000000
            F    1   1.00
                  0.7908500              1.0000000
            ****
            -Ru     0
            S    3   1.00
                  7.9365700000          -1.1772083350
                  5.9842450000           1.6197059592
                  4.8822200000           0.51065807556
            S    1   1.00
                  1.1031002163           1.0000000
            S    1   1.00
                  0.49818875261          1.0000000
            S    1   1.00
                  0.10678711393          1.0000000
            S    1   1.00
                  0.39191775872D-01      1.0000000
            P    4   1.00
                  3.7546090000          -0.70777873563
                  2.9165710000           0.74954391484
                  1.0322209568           0.64660609645
                  0.45249553774          0.27029086816
            P    1   1.00
                  0.16987042198          1.0000000
            P    1   1.00
                  0.85500000000D-01      1.0000000
            P    1   1.00
                  0.43000000000D-01      1.0000000
            D    4   1.00
                  5.7341846619          -0.35266111560D-01
                  2.2483686294           0.21802502222
                  0.98376978359          0.44709565013
                  0.40379445583          0.40371732508
            D    1   1.00
                  0.14978618173          1.0000000
            F    1   1.00
                  0.9431400              1.0000000
            ****
            -Rh     0
            S    3   1.00
                  7.9177440000           0.14014042010165D+01
                  6.8412070000          -0.17975072656312D+01
                  2.9598400000          -0.16225754496571
            S    1   1.00
                  1.3166643441            .87495110714057
            S    1   1.00
                  0.56907152172          1.0000000
            S    1   1.00
                  0.10059695193          1.0000000
            S    1   1.00
                  0.37071460798D-01      1.0000000
            P    4   1.00
                  4.1360790000          -0.55183328017626
                  2.9462810000           0.61370533515352
                  1.0792431924           0.64005434538256
                  0.46611217769          0.25958050755066
            P    1   1.00
                  0.17453169991          1.0000000
            P    1   1.00
                  0.84600000000D-01      1.0000000
            P    1   1.00
                  0.0410000              1.0000000
            D    4   1.00
                  6.8847131641          -0.15962387984517D-01
                  2.3837304391           0.23047555828858
                  1.0184384022           0.44075804027937
                  0.39957494644          0.39567661995894
            D    1   1.00
                  0.13951120264          1.0000000
            F    1   1.00
                  1.0949900              1.0000000
            ****
            -Pd     0
            S    3   1.00
                  8.4756400000           1.2392391076
                  7.1657170000          -1.6563109970
                  3.1821100000          -0.13178619060
            S    1   1.00
                  1.3973644196           1.0000000
            S    1   1.00
                  0.60532955868          1.0000000
            S    1   1.00
                  0.10229514209          1.0000000
            S    1   1.00
                  0.37338972881D-01      1.0000000
            P    4   1.00
                  4.2460970000          -0.82324104973
                  3.3925940000           0.87084659933
                  1.1975891264           0.63512225791
                  0.52673750585          0.27225338752
            P    1   1.00
                  0.20607094098          1.0000000
            P    1   1.00
                  0.87300000000D-01      1.0000000
            P    1   1.00
                  0.37000000000D-01      1.0000000
            D    4   1.00
                  7.3613290985          -0.17199885828D-01
                  2.6291037258           0.23313745275
                  1.1292744634           0.44536385867
                  0.44471659896          0.39293650406
            D    1   1.00
                  0.15544893836          1.0000000
            F    1   1.00
                  1.2462900              1.0000000
            ****
            -Ag     0
            S    3   1.00
                  9.0884420000          -1.9808918797
                  7.5407310000           2.7554513347
                  2.7940050000           0.22715408381
            S    1   1.00
                  1.4918135849           1.0000000
            S    1   1.00
                  0.63579159445          1.0000000
            S    1   1.00
                  0.10368414161          1.0000000
            S    1   1.00
                  0.37460004363D-01      1.0000000
            P    4   1.00
                  4.4512400000          -0.99352103771
                  3.6752630000           1.0500525237
                  1.2610620905           0.64747532537
                  0.54212477498          0.25621550723
            P    1   1.00
                  0.20221617026          1.0000000
            P    1   1.00
                  0.91300000000D-01      1.0000000
            P    1   1.00
                  0.0412000              1.0000000
            D    4   1.00
                  7.7956672292          -0.17042912377D-01
                  2.8926510238           0.23446154803
                  1.2474273203           0.44765877533
                  0.49313817671          0.39064954560
            D    1   1.00
                  0.17285032603          1.0000000
            F    1   1.00
                  1.3971100              1.0000000
            ****
            -Cd     0
            S    3   1.00
                  9.7270110000          -1.7930075316
                  7.8375230000           2.6110318971
                  5.0891940000           0.10748428949
            S    1   1.00
                  1.4981738327           1.0000000
            S    1   1.00
                  0.67281383129          1.0000000
            S    1   1.00
                  0.13297424875          1.0000000
            S    1   1.00
                  0.46915090488D-01      1.0000000
            P    4   1.00
                  4.7427160000          -1.0411923051
                  3.9366550000           1.1003682332
                  1.3569243142           0.65366639411
                  0.58791569541          0.24632369113
            P    1   1.00
                  0.21371239619          1.0000000
            P    1   1.00
                  0.10500000000          1.0000000
            P    1   1.00
                  0.0516000              1.0000000
            D    4   1.00
                  7.8631040859          -0.21376239365D-01
                  3.2935059133           0.22596399568
                  1.4503676025           0.45294402972
                  0.59373316766          0.39218971958231D+00
            D    1   1.00
                  0.21760141520          1.0000000
            F    1   1.00
                  1.5981300              1.0000000
            ****
            -In     0
            S    6   1.00
                283.52297445             0.70132141424D-03
                 23.324282101           -0.90887432418D-01
                 16.868026844            0.28096825177
                  6.7866498137          -0.70697832452
                  1.6782596016           0.98671644913
                  0.78396870439          0.62568576302
            S    2   1.00
                  1.8276654775          -0.34151640249
                  0.83753492534         -0.59696724334
            S    1   1.00
                  0.16643068973          1.0000000
            S    1   1.00
                  0.61143742809D-01      1.0000000
            S    1   1.00
                  0.25528481617D-01      1.0000000
            P    4   1.00
                 14.699191826            0.92248042349D-01
                  8.8709038051          -0.32437029300
                  1.1342905889           0.61162217018
                  0.52667652433          0.17609640386
            P    1   1.00
                  2.3284433667           1.0000000
            P    1   1.00
                  0.16859144934          1.0000000
            P    1   1.00
                  0.50070381081D-01      1.0000000
            D    5   1.00
                 31.378655926            0.54007004722D-02
                 18.290046326           -0.11208558948D-01
                  3.2551894590           0.30384519161
                  1.3874842584           0.54078109979
                  0.54248962672          0.38232680038
            D    1   1.00
                  0.18000000000          1.0000000
            D    1   1.00
                  0.41325112998D-01      1.0000000
            ****
            -Sn     0
            S    6   1.00
                375.95156177             0.15224884228D-02
                 23.661818008           -0.16776065030
                 19.946281315            0.33989090393
                  6.8240270454          -0.84441791529
                  1.8771488722           0.92646952846
                  0.82033199226          0.53091094490
            S    2   1.00
                 10.341549887           -0.90331119154D-02
                  1.3672524155           0.22980877714
            S    1   1.00
                  0.18314843823          1.0000000
            S    1   1.00
                  0.69547226146D-01      1.0000000
            S    1   1.00
                  0.34867474697D-01      1.0000000
            P    4   1.00
                 21.293597748            0.37103218279D-01
                  8.8171842499          -0.32351709661
                  1.2347028371           0.83846760898
                  0.57869142617          0.23294977050
            P    1   1.00
                  2.5084050284           1.0000000
            P    1   1.00
                  0.21298577719          1.0000000
            P    1   1.00
                  0.67364584657D-01      1.0000000
            D    5   1.00
                 39.693023177            0.39185734275D-02
                 20.852179275           -0.68210073667D-02
                  3.6907832774           0.27938420495
                  1.5849404530           0.52607409874
                  0.62772693365          0.36149465348
            D    1   1.00
                  0.20500000000          1.0000000
            D    1   1.00
                  0.54356625231D-01      1.0000000
            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
                  1.9052000235           0.92017581656
                  0.93007107773          0.46754079597
            S    2   1.00
                 10.584496987           -0.14845336778D-01
                  1.4680242769           0.35289492025
            S    1   1.00
                  0.21621190032          1.0000000
            S    1   1.00
                  0.83546307041D-01      1.0000000
            S    1   1.00
                  0.43729879440D-01      1.0000000
            P    4   1.00
                 15.926550950            0.13206950012
                 10.052739237           -0.41511149340
                  1.2682183726           0.74197972626
                  0.57196620929          0.15580772750
            P    1   1.00
                  2.6190751238           1.0000000
            P    1   1.00
                  0.25183282652          1.0000000
            P    1   1.00
                  0.83389127684D-01      1.0000000
            D    5   1.00
                 45.485063360            0.32556415807D-02
                 18.504059617           -0.54952972010D-02
                  3.9156032308           0.27988806353
                  1.7142196009           0.51273377761
                  0.69675478242          0.33288802736
            D    1   1.00
                  0.23060000000          1.0000000
            D    1   1.00
                  0.66830850850D-01      1.0000000
            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
                  2.0705998798           0.79192928400
                  0.97715185085          0.40558342540
            S    2   1.00
                 11.263563841           -0.15212984183D-01
                  1.6122696062           0.35202140517
            S    1   1.00
                  0.25095401705          1.0000000
            S    1   1.00
                  0.97478452576D-01      1.0000000
            S    1   1.00
                  0.38352170654D-01      1.0000000
            P    4   1.00
                 17.479502221            0.11517799182
                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
                  0.59239616258          0.15283299018
            P    1   1.00
                  2.7961737670           1.0000000
            P    1   1.00
                  0.29766401026          1.0000000
            P    1   1.00
                  0.96151090240D-01      1.0000000
            P    1   1.00
                  0.26339831052D-01      1.0000000
            D    5   1.00
                 50.821835991            0.33763474774D-02
                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
                  0.77069282849          0.32213541689
            D    1   1.00
                  0.25000000000          1.0000000
            D    1   1.00
                  0.66543837442D-01      1.0000000
            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
                 11.720547572           -0.16160234511D-01
                  1.7625986449           0.35271525193
            S    1   1.00
                  0.28697476318          1.0000000
            S    1   1.00
                  0.11227609607          1.0000000
            S    1   1.00
                  0.45123635492D-01      1.0000000
            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
                  3.0288656771           1.0000000
            P    1   1.00
                  0.34506591841          1.0000000
            P    1   1.00
                  0.11134513813          1.0000000
            P    1   1.00
                  0.29795507230D-01      1.0000000
            D    5   1.00
                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
                  0.87640281623          0.31232025297
            D    1   1.00
                  0.30900000000          1.0000000
            D    1   1.00
                  0.77987255180D-01      1.0000000
            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
                 18.048324490            0.57524870348
            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
                  2.6257211320           1.0000000
            S    1   1.00
                  1.2905042943           1.0000000
            S    1   1.00
                  0.36204185060          1.0000000
            S    1   1.00
                  0.14069888091          1.0000000
            S    1   1.00
                  0.50201095588D-01      1.0000000
            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
                  0.52321923128          1.0000000
            P    1   1.00
                  0.21945569800          1.0000000
            P    1   1.00
                  0.86158996836D-01      1.0000000
            P    1   1.00
                  0.23749464135D-01      1.0000000
            D    6   1.00
                135.60300038             0.81873543290D-03
                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
                  1.2938205124           0.36029482992
            D    1   1.00
                  0.58050830139          1.0000000
            D    1   1.00
                  0.18000000000          1.0000000
            D    1   1.00
                  0.68002755933D-01      1.0000000
            F    1   1.00
                  2.5000000              1.0000000
            F    1   1.00
                  0.49652793             1.0000000
            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
                  0.37485237136          1.0000000
            S    1   1.00
                  0.16384858778          1.0000000
            S    1   1.00
                  0.27230462048D-01      1.0000000
            S    1   1.00
                  0.11991533212D-01      1.0000000
            P    4   1.00
                  4.2751856154           0.45723074174D-01
                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
                  0.91450850296D-01      1.0000000
            P    1   1.00
                  0.17592078473D-01      1.0000000
            P    1   1.00
                  0.33986441258D-02      1.0000000
            D    1   1.00
                  0.1330000              1.0000000
            D    1   1.00
                  0.33216214821D-01      1.0000000
            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
                  0.27420073547          1.0000000
            S    1   1.00
                  0.40933264188D-01      1.0000000
            S    1   1.00
                  0.18060156423D-01      1.0000000
            P    4   1.00
                  2.9267420000           0.79815276764
                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
                  0.13221792446          1.0000000
            P    1   1.00
                  0.33039565349D-01      1.0000000
            P    1   1.00
                  0.14159090510D-01      1.0000000
            D    4   1.00
                  0.9663150             -0.9089380
                  0.8938280              0.9472400
                  0.2731950              0.3220570
                  0.1038910              0.4732600
            D    1   1.00
                  0.0355780              0.365977
            F    4   1.00
                 10.00                   0.073
                  3.20                   0.210
                  1.00                   0.350
                  0.32                   0.360
            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
                  0.48954926461          1.0000000
            S    1   1.00
                  0.23292032550          1.0000000
            S    1   1.00
                  0.55595529876D-01      1.0000000
            S    1   1.00
                  0.22795184937D-01      1.0000000
            P    4   1.00
                  3.0251610000          -0.28580266654872D+00
                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
                  0.32519427171         -0.58864843929619D+00
            P    1   1.00
                  0.13635489374          1.0000000
            P    1   1.00
                  0.58500000000D-01      1.0000000
            P    1   1.00
                  0.0251000              1.0000000
            D    4   1.00
                  1.2667182018          -0.17445579381106D+00
                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
                  0.13398788830          0.44878277154181D+00
            D    1   1.00
                  0.51275503081D-01      1.0000000
            F    1   1.00
                  0.2568300              1.0000000
            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
                  0.79665469409          1.0000000
            S    1   1.00
                  0.34234072894          1.0000000
            S    1   1.00
                  0.98109197714D-01      1.0000000
            S    1   1.00
                  0.36190984443D-01      1.0000000
            P    4   1.00
                  6.7265310000           0.65076205465872
                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
                  0.20258973792          1.0000000
            P    1   1.00
                  0.82500000000D-01      1.0000000
            P    1   1.00
                  0.0336000              1.0000000
            D    4   1.00
                  3.9820623229          -0.042446023944105
                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
                  0.73099858787D-01      1.0000000
            F    1   1.00
                  0.3154700              1.0000000
            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
                  0.39142776556D-01      1.0000000
            P    4   1.00
                  7.4188720000           0.26979695152
                  5.6984100000          -0.46968874449
                  1.1777211960           0.50905100155
                  0.54478533555          0.52298161137
            P    1   1.00
                  0.22309270117          1.0000000
            P    1   1.00
                  0.98100000000D-01      1.0000000
            P    1   1.00
                  0.0431000              1.0000000
            D    4   1.00
                  3.9738796278          -0.52799310714D-01
                  1.4528884813           0.18558319471
                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
                  0.87909318337D-01      1.0000000
            F    1   1.00
                  0.3738600              1.0000000
            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
            S    1   1.00
                  0.92785370307          1.0000000
            S    1   1.00
                  0.40334458241          1.0000000
            S    1   1.00
                  0.11585976646          1.0000000
            S    1   1.00
                  0.41800474073D-01      1.0000000
            P    4   1.00
                  7.2496570000           0.45857265530
                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
                  0.24106964301          1.0000000
            P    1   1.00
                  0.98600000000D-01      1.0000000
            P    1   1.00
                  0.0403000              1.0000000
            D    4   1.00
                  4.0131231332          -0.63416491808D-01
                  1.6237452450           0.18452733732
                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
                  0.10225296446          1.0000000
            F    1   1.00
                  0.4319900              1.0000000
            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
            S    1   1.00
                  0.43949851581D-01      1.0000000
            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
                  0.25922718696          1.0000000
            P    1   1.00
                  0.11190000000          1.0000000
            P    1   1.00
                  0.04200000000          1.0000000
            D    4   1.00
                  4.0616274916          -0.76667295205D-01
                  1.8487943286           0.18067495215
                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
                  0.11892742980          1.0000000
            F    1   1.00
                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
                  0.46783543749          1.0000000
            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
                  0.47101982911D-01      1.0000000
            P    4   1.00
                  7.9362790000           0.33899369659
                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
                  0.12830000000          1.0000000
            P    1   1.00
                  0.04800000000          1.0000000
            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
                  0.31306011113          1.0000000
            P    1   1.00
                  0.13100000000          1.0000000
            P    1   1.00
                  0.0548000              1.0000000
            D    4   1.00
                  3.6994850000          -0.54840155964653
                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
                  0.48989034059D-01      1.0000000
            P    4   1.00
                  8.1000000000           0.72955608128
                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
                  0.30270484669          1.0000000
            P    1   1.00
                  0.12300000000          1.0000000
            P    1   1.00
                  0.50000000000D-01      1.0000000
            D    4   1.00
                  4.6299536825          -0.87774450596D-01
                  2.1980241252           0.21158360681
                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
                  0.48876985527D-01      1.0000000
            P    4   1.00
                  8.6096650000           0.50053018599
                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
                  0.32384840661          1.0000000
            P    1   1.00
                  0.13220000000          1.0000000
            P    1   1.00
                  0.0540000              1.0000000
            D    4   1.00
                  4.1439490000          -0.37099566643
                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
                  0.16490636769          1.0000000
            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
                  9.7729900000           0.21210940502
                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
                  0.34494917659          1.0000000
            P    1   1.00
                  0.15540000000          1.0000000
            P    1   1.00
                  0.07000000000          1.0000000
            D    4   1.00
                  4.2800000000          -0.32033414305491
                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
                  0.18501599388          1.0000000
            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/30_conformer04/Gau-18990.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/30_conformer04/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     19012.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=30_ibuprofen_conformer05_STD_B3LYPDBJ_def2SVPD
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Wed Sep  8 12:29:37 2021, MaxMem=  6442450944 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "30_ibuprofen_conformer05_STD_B3LYPDBJ_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -0.709910000000      0.670807000000     -0.967581000000
  C                                                -1.514787000000     -0.421985000000     -0.641507000000
  C                                                 0.592878000000      0.771936000000     -0.502207000000
  C                                                 1.137615000000     -0.225982000000      0.304676000000
  C                                                 0.347678000000     -1.327177000000      0.619024000000
  C                                                -0.957714000000     -1.421755000000      0.154368000000
  C                                                -2.940864000000     -0.508394000000     -1.117499000000
  C                                                -3.987455000000      0.128199000000     -0.171742000000
  C                                                -3.779028000000      1.632708000000     -0.004548000000
  C                                                -4.041131000000     -0.569211000000      1.186803000000
  C                                                 2.555065000000     -0.110902000000      0.841195000000
  C                                                 3.512909000000      0.020089000000     -0.327512000000
  O                                                 3.916643000000      1.053908000000     -0.793769000000
  O                                                 3.856696000000     -1.186888000000     -0.831471000000
  H                                                -1.108539000000      1.453325000000     -1.601421000000
  H                                                 1.197146000000      1.626236000000     -0.780243000000
  H                                                 0.758326000000     -2.121930000000      1.230081000000
  H                                                -1.550996000000     -2.291094000000      0.409882000000
  H                                                -3.207271000000     -1.558295000000     -1.263900000000
  H                                                -3.023252000000     -0.023303000000     -2.093508000000
  H                                                -4.956106000000     -0.021345000000     -0.661200000000
  H                                                -3.767687000000      2.144305000000     -0.969553000000
  H                                                -2.833997000000      1.845956000000      0.498551000000
  H                                                -4.580691000000      2.067606000000      0.595584000000
  H                                                -3.105962000000     -0.437299000000      1.734311000000
  H                                                -4.217867000000     -1.641741000000      1.078812000000
  H                                                -4.845765000000     -0.157244000000      1.799012000000
  H                                                 2.793783000000     -1.046687000000      1.348092000000
  C                                                 2.714984000000      1.060322000000      1.812332000000
  H                                                 4.422318000000     -1.021428000000     -1.602212000000
  H                                                 2.519413000000      2.006373000000      1.310475000000
  H                                                 3.727494000000      1.097018000000      2.216623000000
  H                                                 2.011507000000      0.951447000000      2.637725000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     33 NQM=       33 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          16          16           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1          12           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           0           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000

  Atom        31          32          33
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Wed Sep  8 12:29:38 2021, MaxMem=  6442450944 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.709910    0.670807   -0.967581
      2          6           0       -1.514787   -0.421985   -0.641507
      3          6           0        0.592878    0.771936   -0.502207
      4          6           0        1.137615   -0.225982    0.304676
      5          6           0        0.347678   -1.327177    0.619024
      6          6           0       -0.957714   -1.421755    0.154368
      7          6           0       -2.940864   -0.508394   -1.117499
      8          6           0       -3.987455    0.128199   -0.171742
      9          6           0       -3.779028    1.632708   -0.004548
     10          6           0       -4.041131   -0.569211    1.186803
     11          6           0        2.555065   -0.110902    0.841195
     12          6           0        3.512909    0.020089   -0.327512
     13          8           0        3.916643    1.053908   -0.793769
     14          8           0        3.856696   -1.186888   -0.831471
     15          1           0       -1.108539    1.453325   -1.601421
     16          1           0        1.197146    1.626236   -0.780243
     17          1           0        0.758326   -2.121930    1.230081
     18          1           0       -1.550996   -2.291094    0.409882
     19          1           0       -3.207271   -1.558295   -1.263900
     20          1           0       -3.023252   -0.023303   -2.093508
     21          1           0       -4.956106   -0.021345   -0.661200
     22          1           0       -3.767687    2.144305   -0.969553
     23          1           0       -2.833997    1.845956    0.498551
     24          1           0       -4.580691    2.067606    0.595584
     25          1           0       -3.105962   -0.437299    1.734311
     26          1           0       -4.217867   -1.641741    1.078812
     27          1           0       -4.845765   -0.157244    1.799012
     28          1           0        2.793783   -1.046687    1.348092
     29          6           0        2.714984    1.060322    1.812332
     30          1           0        4.422318   -1.021428   -1.602212
     31          1           0        2.519413    2.006373    1.310475
     32          1           0        3.727494    1.097018    2.216623
     33          1           0        2.011507    0.951447    2.637725
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.395832   0.000000
     3  C    1.387104   2.426335   0.000000
     4  C    2.415826   2.822927   1.394145   0.000000
     5  C    2.761838   2.424270   2.392396   1.391203   0.000000
     6  C    2.387256   1.394018   2.765449   2.417203   1.388848
     7  C    2.527874   1.505899   3.808564   4.328548   3.807943
     8  C    3.416151   2.576329   4.637139   5.159337   4.640777
     9  C    3.357405   3.123182   4.483543   5.265333   5.116587
    10  C    4.156447   3.121988   5.111308   5.264538   4.489825
    11  C    3.813503   4.342680   2.536594   1.519954   2.530068
    12  C    4.320338   5.056852   3.020327   2.470270   3.567877
    13  O    4.645640   5.630442   3.348422   3.250799   4.516975
    14  O    4.931881   5.428996   3.820722   3.099608   3.799582
    15  H    1.083048   2.145521   2.137143   3.390942   3.844754
    16  H    2.141215   3.401329   1.082715   2.147395   3.376713
    17  H    3.845103   3.399955   3.376782   2.143561   1.083353
    18  H    3.373083   2.144831   3.848409   3.391811   2.139589
    19  H    3.360582   2.131449   4.522310   4.807653   4.029452
    20  H    2.664780   2.131366   4.030017   4.806785   4.518970
    21  H    4.313134   3.464618   5.607655   6.173186   5.610196
    22  H    3.394289   3.430600   4.595251   5.594990   5.613465
    23  H    2.835889   2.860700   3.728070   4.483773   4.495147
    24  H    4.401986   4.138626   5.445156   6.167998   5.984473
    25  H    3.777457   2.859473   4.488394   4.482907   3.736760
    26  H    4.673475   3.428402   5.609699   5.593286   4.599408
    27  H    5.044304   4.137830   5.978112   6.167544   5.452794
    28  H    4.537399   4.786704   3.402202   2.122538   2.567809
    29  C    4.428266   5.109748   3.153346   2.532923   3.567671
    30  H    5.441156   6.044130   4.369299   3.880494   4.650813
    31  H    4.171547   5.097247   2.919107   2.811478   4.038204
    32  H    5.478263   6.160989   4.162155   3.480423   4.455581
    33  H    4.525826   5.007437   3.450204   2.755566   3.469237
                    6          7          8          9         10
     6  C    0.000000
     7  C    2.526808   0.000000
     8  C    3.418777   1.547598   0.000000
     9  C    4.161107   2.554505   1.528052   0.000000
    10  C    3.361579   2.554231   1.528040   2.517233   0.000000
    11  C    3.811782   5.848052   6.624785   6.623911   6.621125
    12  C    4.722033   6.523386   7.502760   7.475105   7.726833
    13  O    5.548624   7.040667   7.982394   7.757656   8.359626
    14  O    4.919917   6.837323   7.980940   8.181577   8.175000
    15  H    3.372184   2.727625   3.476794   3.116680   4.523819
    16  H    3.848008   4.668352   5.430882   5.036274   6.010724
    17  H    2.142941   4.668901   5.436049   6.017408   5.044561
    18  H    1.083061   2.728121   3.482470   4.531236   3.125581
    19  H    2.662824   1.093022   2.155402   3.477840   2.771201
    20  H    3.357836   1.093021   2.155418   2.770798   3.477720
    21  H    4.314329   2.122881   1.095544   2.133681   2.133647
    22  H    4.677171   2.782505   2.179331   1.092289   3.476753
    23  H    3.783759   2.857622   2.174959   1.091635   2.786377
    24  H    5.049384   3.501351   2.168414   1.091768   2.755625
    25  H    2.842594   2.857470   2.174823   2.785961   1.091653
    26  H    3.395819   2.781905   2.179372   3.476818   1.092345
    27  H    4.406902   3.501141   2.168420   2.755846   1.091766
    28  H    3.954666   6.265387   7.048081   7.225693   6.853470
    29  C    4.732680   6.559984   7.051815   6.767634   6.977948
    30  H    5.673674   7.396932   8.607681   8.766929   8.922616
    31  H    5.017874   6.483343   6.932809   6.445097   7.049090
    32  H    5.705111   7.626317   8.134085   7.846556   8.011765
    33  H    4.540421   6.384264   6.675207   6.401251   6.407184
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.516740   0.000000
    13  O    2.425651   1.203818   0.000000
    14  O    2.376931   1.352390   2.241915   0.000000
    15  H    4.672812   5.003478   5.105320   5.676011   0.000000
    16  H    2.736906   2.854371   2.779102   3.871627   2.453653
    17  H    2.724654   3.821265   4.914965   3.837212   4.927985
    18  H    4.668940   5.615020   6.521724   5.657151   4.273381
    19  H    6.303244   6.966271   7.602288   7.086929   3.686252
    20  H    6.303791   6.770674   7.142258   7.090864   2.467530
    21  H    7.660477   8.475688   8.938647   8.891173   4.226398
    22  H    6.952838   7.611280   7.763298   8.321486   2.819180
    23  H    5.743578   6.655778   6.918712   7.465419   2.746133
    24  H    7.464934   8.399452   8.669635   9.155202   4.154517
    25  H    5.740333   6.947645   7.611299   7.458132   4.323340
    26  H    6.947844   8.031458   8.771735   8.309912   5.141109
    27  H    7.462697   8.626760   9.217874   9.149450   5.303182
    28  H    1.090699   2.112534   3.203261   2.428978   5.493433
    29  C    1.529852   2.509522   2.869806   3.652828   5.140767
    30  H    3.207168   1.880596   2.283924   0.970230   6.059272
    31  H    2.168951   2.759594   2.699497   4.071016   4.684766
    32  H    2.173813   2.771001   3.016637   3.811010   6.171842
    33  H    2.156748   3.451705   3.926219   4.473536   5.287431
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.275829   0.000000
    18  H    4.930939   2.456483   0.000000
    19  H    5.456560   4.718430   2.466128   0.000000
    20  H    4.717775   5.454430   3.684749   1.754512   0.000000
    21  H    6.371123   6.375275   4.230101   2.404971   2.405709
    22  H    4.995378   6.597268   5.146778   3.756322   2.552642
    23  H    4.234821   5.402225   4.332336   3.851557   3.201362
    24  H    5.955763   6.816150   5.311478   4.300130   3.745495
    25  H    5.394247   4.245580   2.758367   3.202525   3.851030
    26  H    6.592278   5.001596   2.825124   2.552757   3.756336
    27  H    6.808093   5.965694   4.163953   3.745536   4.300140
    28  H    3.771416   2.305029   4.615831   6.564822   6.835921
    29  C    3.057047   3.780774   5.603342   7.168923   7.025467
    30  H    4.252939   4.760024   6.429701   7.655933   7.528223
    31  H    2.502798   4.488962   5.987280   7.220054   6.813796
    32  H    3.957769   4.488970   6.527333   8.200957   8.087331
    33  H    3.577853   3.605214   5.307427   6.982630   6.977356
                   21         22         23         24         25
    21  H    0.000000
    22  H    2.489470   0.000000
    23  H    3.055353   1.765253   0.000000
    24  H    2.466609   1.765365   1.763373   0.000000
    25  H    3.055245   3.796504   2.610425   3.121870   0.000000
    26  H    2.489643   4.328118   3.796818   3.758245   1.765416
    27  H    2.466432   3.758235   3.122694   2.543317   1.763386
    28  H    8.071515   7.655508   6.384435   8.040395   5.943695
    29  C    8.132280   7.137151   5.756252   7.464715   6.011021
    30  H    9.478423   8.803312   8.080173   9.768654   8.255216
    31  H    7.992655   6.689184   5.417006   7.136266   6.147846
    32  H    9.216155   8.211350   6.823917   8.520314   7.020176
    33  H    7.770255   6.916245   5.371696   6.990939   5.378965
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.765411   0.000000
    28  H    7.042005   7.704358   0.000000
    29  C    7.476872   7.658170   2.158985   0.000000
    30  H    9.067826   9.910222   3.370023   4.348308   0.000000
    31  H    7.665073   7.691928   3.065594   1.088633   4.612198
    32  H    8.480812   8.674580   2.494320   1.090859   4.422001
    33  H    6.925311   6.996772   2.503527   1.089957   5.261303
                   31         32         33
    31  H    0.000000
    32  H    1.762808   0.000000
    33  H    1.769867   1.772887   0.000000
 Stoichiometry    C13H18O2
 Framework group  C1[X(C13H18O2)]
 Deg. of freedom    93
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 2.07D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.709910    0.670807   -0.967581
      2          6           0       -1.514787   -0.421985   -0.641507
      3          6           0        0.592878    0.771936   -0.502207
      4          6           0        1.137615   -0.225982    0.304676
      5          6           0        0.347678   -1.327177    0.619024
      6          6           0       -0.957714   -1.421755    0.154368
      7          6           0       -2.940864   -0.508394   -1.117499
      8          6           0       -3.987455    0.128199   -0.171742
      9          6           0       -3.779028    1.632708   -0.004548
     10          6           0       -4.041131   -0.569211    1.186803
     11          6           0        2.555065   -0.110902    0.841195
     12          6           0        3.512909    0.020089   -0.327512
     13          8           0        3.916643    1.053908   -0.793769
     14          8           0        3.856696   -1.186888   -0.831471
     15          1           0       -1.108539    1.453325   -1.601421
     16          1           0        1.197146    1.626236   -0.780243
     17          1           0        0.758326   -2.121930    1.230081
     18          1           0       -1.550996   -2.291094    0.409882
     19          1           0       -3.207271   -1.558295   -1.263900
     20          1           0       -3.023252   -0.023303   -2.093508
     21          1           0       -4.956106   -0.021345   -0.661200
     22          1           0       -3.767687    2.144305   -0.969553
     23          1           0       -2.833997    1.845956    0.498551
     24          1           0       -4.580691    2.067606    0.595584
     25          1           0       -3.105962   -0.437299    1.734311
     26          1           0       -4.217867   -1.641741    1.078812
     27          1           0       -4.845765   -0.157244    1.799012
     28          1           0        2.793783   -1.046687    1.348092
     29          6           0        2.714984    1.060322    1.812332
     30          1           0        4.422318   -1.021428   -1.602212
     31          1           0        2.519413    2.006373    1.310475
     32          1           0        3.727494    1.097018    2.216623
     33          1           0        2.011507    0.951447    2.637725
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.4017426           0.2678143           0.2638389
 Leave Link  202 at Wed Sep  8 12:29:38 2021, MaxMem=  6442450944 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      15     16     17     18     19     20     21     22     23     24
 Centers:      25     26     27     28     30     31     32     33
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     10
 Centers:      11     12     29
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      13     14
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   480 symmetry adapted cartesian basis functions of A   symmetry.
 There are   450 symmetry adapted basis functions of A   symmetry.
   450 basis functions,   666 primitive gaussians,   480 cartesian basis functions
    56 alpha electrons       56 beta electrons
       nuclear repulsion energy       981.3510194734 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   33 NActive=   33 NUniq=   33 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0630740026 Hartrees.
 Nuclear repulsion after empirical dispersion term =      981.2879454708 Hartrees.
 Leave Link  301 at Wed Sep  8 12:29:39 2021, MaxMem=  6442450944 cpu:               6.9 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   450 RedAO= T EigKep=  3.86D-06  NBF=   450
 NBsUse=   450 1.00D-06 EigRej= -1.00D+00 NBFU=   450
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   478   478   478   478   478 MxSgAt=    33 MxSgA2=    33.
 Leave Link  302 at Wed Sep  8 12:29:40 2021, MaxMem=  6442450944 cpu:               7.7 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Wed Sep  8 12:29:41 2021, MaxMem=  6442450944 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "30_ibuprofen_conformer05_STD_B3LYPDBJ_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Wed Sep  8 12:29:42 2021, MaxMem=  6442450944 cpu:               7.7 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6441981585 LenY=  6441750705
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 930000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -656.327302288215    
 DIIS: error= 2.37D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -656.327302288215     IErMin= 1 ErrMin= 2.37D-03
 ErrMax= 2.37D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.15D-02 BMatP= 1.15D-02
 IDIUse=3 WtCom= 9.76D-01 WtEn= 2.37D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.222 Goal=   None    Shift=    0.000
 GapD=    0.222 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.77D-02 MaxDP=8.69D-01              OVMax= 1.61D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.11D-02    CP:  1.38D+00
 E= -656.337207034192     Delta-E=       -0.009904745977 Rises=F Damp=F
 DIIS: error= 6.98D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -656.337207034192     IErMin= 2 ErrMin= 6.98D-04
 ErrMax= 6.98D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.83D-04 BMatP= 1.15D-02
 IDIUse=3 WtCom= 9.93D-01 WtEn= 6.98D-03
 Coeff-Com:  0.363D-01 0.964D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.360D-01 0.964D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=9.18D-04 MaxDP=5.02D-02 DE=-9.90D-03 OVMax= 7.16D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.64D-04    CP:  1.41D+00  1.04D+00
 E= -656.337057534288     Delta-E=        0.000149499904 Rises=F Damp=F
 DIIS: error= 9.06D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -656.337207034192     IErMin= 2 ErrMin= 6.98D-04
 ErrMax= 9.06D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.42D-04 BMatP= 3.83D-04
 IDIUse=3 WtCom= 2.49D-01 WtEn= 7.51D-01
 Coeff-Com: -0.135D-01 0.570D+00 0.443D+00
 Coeff-En:   0.000D+00 0.587D+00 0.413D+00
 Coeff:     -0.336D-02 0.583D+00 0.421D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=1.09D-04 MaxDP=5.68D-03 DE= 1.49D-04 OVMax= 3.91D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  6.85D-05    CP:  1.40D+00  1.04D+00  7.45D-01
 E= -656.337528215613     Delta-E=       -0.000470681324 Rises=F Damp=F
 DIIS: error= 1.62D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -656.337528215613     IErMin= 4 ErrMin= 1.62D-04
 ErrMax= 1.62D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.02D-05 BMatP= 3.83D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.62D-03
 Coeff-Com: -0.846D-02 0.269D+00 0.214D+00 0.526D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.844D-02 0.269D+00 0.213D+00 0.526D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=3.20D-05 MaxDP=1.55D-03 DE=-4.71D-04 OVMax= 8.28D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.36D-05    CP:  1.40D+00  1.04D+00  6.93D-01  9.68D-01
 E= -656.337536176255     Delta-E=       -0.000007960643 Rises=F Damp=F
 DIIS: error= 4.63D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -656.337536176255     IErMin= 5 ErrMin= 4.63D-05
 ErrMax= 4.63D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.67D-06 BMatP= 1.02D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.286D-02 0.671D-01 0.538D-01 0.292D+00 0.590D+00
 Coeff:     -0.286D-02 0.671D-01 0.538D-01 0.292D+00 0.590D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=1.34D-05 MaxDP=6.74D-04 DE=-7.96D-06 OVMax= 5.81D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  7.63D-06    CP:  1.40D+00  1.04D+00  7.03D-01  9.63D-01  8.29D-01
 E= -656.337537114539     Delta-E=       -0.000000938284 Rises=F Damp=F
 DIIS: error= 1.82D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -656.337537114539     IErMin= 6 ErrMin= 1.82D-05
 ErrMax= 1.82D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.88D-07 BMatP= 1.67D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.661D-03 0.475D-02 0.410D-02 0.120D+00 0.418D+00 0.453D+00
 Coeff:     -0.661D-03 0.475D-02 0.410D-02 0.120D+00 0.418D+00 0.453D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=4.96D-06 MaxDP=1.99D-04 DE=-9.38D-07 OVMax= 2.38D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.48D-06    CP:  1.40D+00  1.04D+00  7.05D-01  9.54D-01  8.32D-01
                    CP:  7.81D-01
 E= -656.337537582950     Delta-E=       -0.000000468412 Rises=F Damp=F
 DIIS: error= 1.56D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -656.337537582950     IErMin= 7 ErrMin= 1.56D-06
 ErrMax= 1.56D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.14D-09 BMatP= 5.88D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.111D-03-0.152D-02-0.111D-02 0.303D-01 0.133D+00 0.176D+00
 Coeff-Com:  0.664D+00
 Coeff:     -0.111D-03-0.152D-02-0.111D-02 0.303D-01 0.133D+00 0.176D+00
 Coeff:      0.664D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=1.40D-06 MaxDP=7.81D-05 DE=-4.68D-07 OVMax= 1.92D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.05D-06    CP:  1.40D+00  1.04D+00  7.05D-01  9.61D-01  8.42D-01
                    CP:  7.57D-01  8.45D-01
 E= -656.337537588097     Delta-E=       -0.000000005147 Rises=F Damp=F
 DIIS: error= 7.75D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -656.337537588097     IErMin= 8 ErrMin= 7.75D-07
 ErrMax= 7.75D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.01D-09 BMatP= 6.14D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.113D-04-0.106D-02-0.827D-03 0.660D-02 0.382D-01 0.563D-01
 Coeff-Com:  0.342D+00 0.559D+00
 Coeff:     -0.113D-04-0.106D-02-0.827D-03 0.660D-02 0.382D-01 0.563D-01
 Coeff:      0.342D+00 0.559D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=4.03D-07 MaxDP=1.42D-05 DE=-5.15D-09 OVMax= 1.16D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.03D-07    CP:  1.40D+00  1.04D+00  7.05D-01  9.62D-01  8.40D-01
                    CP:  7.60D-01  8.21D-01  8.24D-01
 E= -656.337537588973     Delta-E=       -0.000000000876 Rises=F Damp=F
 DIIS: error= 2.63D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -656.337537588973     IErMin= 9 ErrMin= 2.63D-07
 ErrMax= 2.63D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.17D-10 BMatP= 1.01D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.669D-05-0.383D-03-0.299D-03-0.169D-03 0.495D-02 0.876D-02
 Coeff-Com:  0.107D+00 0.301D+00 0.579D+00
 Coeff:      0.669D-05-0.383D-03-0.299D-03-0.169D-03 0.495D-02 0.876D-02
 Coeff:      0.107D+00 0.301D+00 0.579D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=1.69D-07 MaxDP=8.38D-06 DE=-8.76D-10 OVMax= 4.85D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  8.30D-08    CP:  1.40D+00  1.04D+00  7.05D-01  9.61D-01  8.41D-01
                    CP:  7.60D-01  8.43D-01  8.01D-01  6.27D-01
 E= -656.337537589092     Delta-E=       -0.000000000119 Rises=F Damp=F
 DIIS: error= 1.02D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -656.337537589092     IErMin=10 ErrMin= 1.02D-07
 ErrMax= 1.02D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.46D-11 BMatP= 1.17D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.503D-05-0.165D-03-0.129D-03-0.581D-03 0.470D-03 0.133D-02
 Coeff-Com:  0.415D-01 0.144D+00 0.351D+00 0.462D+00
 Coeff:      0.503D-05-0.165D-03-0.129D-03-0.581D-03 0.470D-03 0.133D-02
 Coeff:      0.415D-01 0.144D+00 0.351D+00 0.462D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=4.14D-08 MaxDP=1.98D-06 DE=-1.19D-10 OVMax= 1.84D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  2.88D-08    CP:  1.40D+00  1.04D+00  7.05D-01  9.61D-01  8.41D-01
                    CP:  7.61D-01  8.42D-01  8.02D-01  6.43D-01  6.78D-01
 E= -656.337537589045     Delta-E=        0.000000000047 Rises=F Damp=F
 DIIS: error= 2.46D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -656.337537589092     IErMin=11 ErrMin= 2.46D-08
 ErrMax= 2.46D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.53D-13 BMatP= 1.46D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.143D-05-0.226D-04-0.163D-04-0.282D-03-0.473D-03-0.794D-03
 Coeff-Com:  0.454D-02 0.257D-01 0.873D-01 0.234D+00 0.650D+00
 Coeff:      0.143D-05-0.226D-04-0.163D-04-0.282D-03-0.473D-03-0.794D-03
 Coeff:      0.454D-02 0.257D-01 0.873D-01 0.234D+00 0.650D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=1.28D-08 MaxDP=6.32D-07 DE= 4.68D-11 OVMax= 4.26D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  7.77D-09    CP:  1.40D+00  1.04D+00  7.05D-01  9.61D-01  8.41D-01
                    CP:  7.61D-01  8.42D-01  8.05D-01  6.55D-01  7.04D-01
                    CP:  7.47D-01
 E= -656.337537589063     Delta-E=       -0.000000000017 Rises=F Damp=F
 DIIS: error= 6.53D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=10 EnMin= -656.337537589092     IErMin=12 ErrMin= 6.53D-09
 ErrMax= 6.53D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.47D-14 BMatP= 9.53D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.351D-06 0.346D-06 0.138D-05-0.101D-03-0.239D-03-0.510D-03
 Coeff-Com: -0.648D-03 0.251D-02 0.189D-01 0.855D-01 0.337D+00 0.558D+00
 Coeff:      0.351D-06 0.346D-06 0.138D-05-0.101D-03-0.239D-03-0.510D-03
 Coeff:     -0.648D-03 0.251D-02 0.189D-01 0.855D-01 0.337D+00 0.558D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=3.39D-09 MaxDP=1.25D-07 DE=-1.73D-11 OVMax= 1.32D-07

 SCF Done:  E(RB3LYP) =  -656.337537589     A.U. after   12 cycles
            NFock= 12  Conv=0.34D-08     -V/T= 2.0112
 KE= 6.490947656678D+02 PE=-3.485331594315D+03 EE= 1.198611345587D+03
 Leave Link  502 at Wed Sep  8 12:35:54 2021, MaxMem=  6442450944 cpu:            2970.0 elap:             371.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   450
 NBasis=   450 NAE=    56 NBE=    56 NFC=     0 NFV=     0
 NROrb=    450 NOA=    56 NOB=    56 NVA=   394 NVB=   394

 **** Warning!!: The largest alpha MO coefficient is  0.74930111D+02

 Leave Link  801 at Wed Sep  8 12:35:55 2021, MaxMem=  6442450944 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        10052 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          33
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 3.68D-13 8.33D-09 XBig12= 1.00D+00 5.46D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 3.68D-13 8.33D-09 XBig12= 4.30D-01 1.64D-01.
     11 vectors produced by pass  2 Test12= 3.68D-13 8.33D-09 XBig12= 9.26D-02 9.21D-02.
     11 vectors produced by pass  3 Test12= 3.68D-13 8.33D-09 XBig12= 8.97D-03 2.45D-02.
     11 vectors produced by pass  4 Test12= 3.68D-13 8.33D-09 XBig12= 1.97D-03 1.22D-02.
     11 vectors produced by pass  5 Test12= 3.68D-13 8.33D-09 XBig12= 2.15D-04 2.53D-03.
     11 vectors produced by pass  6 Test12= 3.68D-13 8.33D-09 XBig12= 1.08D-05 6.40D-04.
     11 vectors produced by pass  7 Test12= 3.68D-13 8.33D-09 XBig12= 3.06D-07 8.34D-05.
     11 vectors produced by pass  8 Test12= 3.68D-13 8.33D-09 XBig12= 8.65D-09 1.23D-05.
     11 vectors produced by pass  9 Test12= 3.68D-13 8.33D-09 XBig12= 2.42D-10 3.36D-06.
      9 vectors produced by pass 10 Test12= 3.68D-13 8.33D-09 XBig12= 4.51D-12 4.51D-07.
      3 vectors produced by pass 11 Test12= 3.68D-13 8.33D-09 XBig12= 7.87D-14 6.35D-08.
      1 vectors produced by pass 12 Test12= 3.68D-13 8.33D-09 XBig12= 3.12D-14 1.88D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.97D-14
 Solved reduced A of dimension   123 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.215738D+03
      2  0.632354D+01  0.153118D+03
      3  0.782381D+01 -0.866225D+01  0.138286D+03
 Isotropic polarizability for W=    0.088559      169.05 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.186751D+03  0.208980D+02 -0.452410D+02
      2   0.799002D+02 -0.229799D+02 -0.966025D+00
      3   0.106850D+03  0.208198D+01  0.462070D+02
      4   0.292260D+02 -0.106209D+03  0.288512D+02
      5   0.120493D+02  0.315798D+02 -0.915385D+02
      6   0.744921D+01  0.229503D+02  0.269507D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.719362D+01  0.387984D+01 -0.311615D+00
      2  -0.117768D+02  0.998883D+01 -0.481710D+02
      3  -0.365318D+02  0.487462D+02 -0.185593D+02
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.272867D+01  0.239163D+02 -0.248687D+02
      2  -0.572903D+02  0.214020D+02 -0.198389D+03
      3   0.832805D+01  0.186109D+03 -0.241306D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.360307D+01 -0.219750D+01  0.714327D+01
      2  -0.219750D+01 -0.332354D+00 -0.167880D+01
      3   0.714327D+01 -0.167880D+01  0.255857D+01
 OR G Eigenvalues:    -8.4107    -1.0388     8.0726  Iso=     0.4590
 Eigenvectors:
   (1)   0.840269   0.118632  -0.529032
   (2)   0.064245   0.947106   0.314424
   (3)   0.538351  -0.298188   0.788202
 w=    0.088559 a.u., Optical Rotation Beta=      0.4590 au.
 Molar Mass =    206.2840 grams/mole, [Alpha] ( 5145.0 A) =      112.82 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  101475 ScalPx= 4.97D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  101475 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.07D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 6.13D-14 2.78D-09 XBig12= 1.00D+00 4.57D-01.
     30 vectors produced by pass  1 Test12= 6.13D-14 2.78D-09 XBig12= 5.27D-02 5.40D-02.
     30 vectors produced by pass  2 Test12= 6.13D-14 2.78D-09 XBig12= 2.16D-03 7.94D-03.
     30 vectors produced by pass  3 Test12= 6.13D-14 2.78D-09 XBig12= 3.67D-05 1.08D-03.
     30 vectors produced by pass  4 Test12= 6.13D-14 2.78D-09 XBig12= 8.70D-07 1.94D-04.
     30 vectors produced by pass  5 Test12= 6.13D-14 2.78D-09 XBig12= 8.66D-09 1.08D-05.
     30 vectors produced by pass  6 Test12= 6.13D-14 2.78D-09 XBig12= 5.98D-11 7.26D-07.
     30 vectors produced by pass  7 Test12= 6.13D-14 2.78D-09 XBig12= 3.40D-13 4.93D-08.
      1 vectors produced by pass  8 Test12= 6.13D-14 2.78D-09 XBig12= 2.32D-15 4.47D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   241 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  101475 ScalPx= 2.16D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  101475 ScalPx= 2.16D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  101475 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.71D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.215738D+03  0.632354D+01  0.782381D+01
      2   0.632354D+01  0.153118D+03 -0.866225D+01
      3   0.782381D+01 -0.866225D+01  0.138286D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.719362D+01  0.387984D+01 -0.311615D+00
      2  -0.117768D+02  0.998883D+01 -0.481710D+02
      3  -0.365318D+02  0.487462D+02 -0.185593D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.186751D+03  0.208980D+02 -0.452410D+02
      2   0.799002D+02 -0.229799D+02 -0.966025D+00
      3   0.106850D+03  0.208198D+01  0.462070D+02
      4   0.292260D+02 -0.106209D+03  0.288512D+02
      5   0.120493D+02  0.315798D+02 -0.915385D+02
      6   0.744921D+01  0.229503D+02  0.269507D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.110379D+02  0.165883D+01  0.267201D+01  0.133961D+02 -0.292866D+00
      2   0.165883D+01 -0.184749D+01 -0.106521D-01 -0.292866D+00  0.207535D+01
      3   0.267201D+01 -0.106521D-01  0.704426D+00  0.142148D+01  0.973850D+00
                 6             7             8             9            10 
      1   0.142148D+01 -0.532355D+00 -0.195102D+01  0.347142D-01 -0.325460D+02
      2   0.973850D+00 -0.195102D+01  0.808568D+00  0.720990D+00 -0.131839D+00
      3  -0.766321D+00  0.347142D-01  0.720990D+00 -0.411173D+01 -0.404217D+01
                11            12            13            14            15 
      1  -0.131839D+00 -0.404217D+01  0.449139D+00 -0.148399D+01 -0.175732D+01
      2  -0.250367D+01  0.813689D+00 -0.148399D+01 -0.163631D+01 -0.410271D+00
      3   0.813689D+00 -0.188073D+01 -0.175732D+01 -0.410271D+00 -0.110099D+01
                16            17            18            19            20 
      1  -0.857304D+01 -0.171409D+01 -0.448315D+01 -0.866197D+01 -0.830962D+00
      2  -0.171409D+01 -0.778377D+00 -0.631080D+00 -0.830962D+00  0.687864D+00
      3  -0.448315D+01 -0.631080D+00 -0.307084D+01 -0.289208D+01 -0.143800D+01
                21            22            23            24            25 
      1  -0.289208D+01  0.108317D+02  0.645455D+00  0.303370D+01 -0.113859D+02
      2  -0.143800D+01  0.645455D+00  0.293116D+01  0.121722D+01 -0.108616D+01
      3   0.201453D+01  0.303370D+01  0.121722D+01  0.915915D+00 -0.809202D+00
                26            27            28            29            30 
      1  -0.108616D+01 -0.809202D+00  0.293720D+02  0.206511D+01  0.529351D+01
      2   0.204362D+01  0.771839D+00  0.206511D+01  0.238708D+01 -0.943036D-01
      3   0.771839D+00 -0.184451D+01  0.529351D+01 -0.943036D-01  0.263821D+01
                31            32            33            34            35 
      1   0.170575D+01  0.131403D+01  0.193010D+01  0.581443D+01  0.234043D+01
      2   0.131403D+01 -0.524694D+00  0.812798D+00  0.234043D+01  0.195993D+01
      3   0.193010D+01  0.812798D+00  0.206531D+01  0.568695D+01  0.877733D+00
                36            37            38            39            40 
      1   0.568695D+01 -0.125437D+02 -0.147048D+01 -0.345310D+01 -0.151621D+02
      2   0.877733D+00 -0.147048D+01  0.333260D+01 -0.111550D-01 -0.115999D+01
      3   0.236465D+01 -0.345310D+01 -0.111550D-01 -0.929760D+00 -0.140059D+01
                41            42            43            44            45 
      1  -0.115999D+01 -0.140059D+01 -0.227691D+00  0.197314D+01  0.415589D+00
      2  -0.160162D+01 -0.155361D+01  0.197314D+01 -0.881368D+00 -0.102305D+01
      3  -0.155361D+01  0.545251D-01  0.415589D+00 -0.102305D+01  0.427101D+01
                46            47            48            49            50 
      1   0.100362D+02  0.635912D+00  0.307725D+01 -0.958279D+01  0.848822D+00
      2   0.635912D+00 -0.166019D+01  0.158573D+01  0.848822D+00 -0.218562D+01
      3   0.307725D+01  0.158573D+01 -0.164334D+01 -0.283714D+01 -0.117882D+01
                51            52            53            54            55 
      1  -0.283714D+01  0.127741D+02  0.440462D+00 -0.430957D-01  0.201269D+02
      2  -0.117882D+01  0.440462D+00 -0.360798D+01 -0.118443D+01 -0.164320D+01
      3  -0.108329D+01 -0.430957D-01 -0.118443D+01  0.140163D+01 -0.764827D+00
                56            57            58            59            60 
      1  -0.164320D+01 -0.764827D+00 -0.490082D+01  0.370726D+01  0.138248D+01
      2   0.205732D+01  0.951807D+00  0.370726D+01  0.500932D+01  0.227505D+01
      3   0.951807D+00  0.159924D+01  0.138248D+01  0.227505D+01 -0.278313D+01
                61            62            63            64            65 
      1  -0.540203D+01  0.164614D+01  0.374797D+01 -0.221544D+01  0.314054D+01
      2   0.164614D+01  0.895475D+00 -0.216205D+01  0.314054D+01 -0.120005D+01
      3   0.374797D+01 -0.216205D+01  0.491753D+01  0.570827D+01 -0.790995D+00
                66            67            68            69            70 
      1   0.570827D+01  0.869382D+01 -0.131972D+01 -0.996776D+00  0.153883D+02
      2  -0.790995D+00 -0.131972D+01 -0.477089D+01 -0.734364D+00 -0.185215D+01
      3   0.413792D+00 -0.996776D+00 -0.734364D+00  0.347877D+01  0.578609D+00
                71            72            73            74            75 
      1  -0.185215D+01  0.578609D+00  0.521397D+00 -0.326924D+01 -0.467424D+01
      2  -0.996657D+00  0.361041D+01 -0.326924D+01  0.190825D+01  0.129471D+01
      3   0.361041D+01 -0.143361D+01 -0.467424D+01  0.129471D+01  0.257826D+00
                76            77            78            79            80 
      1  -0.387757D+01  0.100248D+01  0.882934D+00 -0.668638D+01  0.177559D+01
      2   0.100248D+01  0.282989D+01  0.910529D+00  0.177559D+01  0.127731D+01
      3   0.882934D+00  0.910529D+00 -0.355087D+01  0.794752D+00 -0.458470D+01
                81            82            83            84            85 
      1   0.794752D+00  0.843296D+00 -0.206731D+01 -0.525830D+01 -0.360977D+01
      2  -0.458470D+01 -0.206731D+01  0.137788D+01  0.831505D+00  0.180504D+01
      3   0.271991D+01 -0.525830D+01  0.831505D+00  0.969974D+00  0.191536D+01
                86            87            88            89            90 
      1   0.180504D+01  0.191536D+01 -0.679987D+01  0.149937D+01  0.414406D+00
      2   0.649538D+01  0.181228D+00  0.149937D+01  0.130013D+01 -0.292854D+01
      3   0.181228D+00 -0.313856D+01  0.414406D+00 -0.292854D+01  0.537238D+00
                91            92            93            94            95 
      1  -0.663833D+01  0.738918D+00  0.264667D+00 -0.157022D+01 -0.244437D+01
      2   0.738918D+00 -0.129479D+01 -0.582365D+00 -0.244437D+01  0.180735D+01
      3   0.264667D+00 -0.582365D+00 -0.233281D+01 -0.238815D+01 -0.430151D+01
                96            97            98            99           100 
      1  -0.238815D+01  0.554121D+01 -0.157456D+01 -0.570164D+01 -0.345123D+01
      2  -0.430151D+01 -0.157456D+01 -0.327842D+01 -0.509352D+00 -0.234426D+01
      3  -0.240823D+01 -0.570164D+01 -0.509352D+00 -0.825403D+00 -0.194966D+00
               101           102           103           104           105 
      1  -0.234426D+01 -0.194966D+00 -0.620717D+01 -0.236748D+01  0.272108D+01
      2  -0.133106D+01  0.372025D+00 -0.236748D+01 -0.231189D+01  0.251381D+01
      3   0.372025D+00  0.160010D+01  0.272108D+01  0.251381D+01 -0.182436D+01
               106           107           108           109           110 
      1   0.341816D+00  0.114140D+01  0.220602D+01  0.603820D+01  0.380459D+01
      2   0.114140D+01  0.243191D+01 -0.664257D+00  0.380459D+01  0.238404D+01
      3   0.220602D+01 -0.664257D+00 -0.194371D+01 -0.155549D+01 -0.440978D+00
               111           112           113           114           115 
      1  -0.155549D+01  0.114836D+02  0.420922D+01 -0.207583D+01 -0.503537D+01
      2  -0.440978D+00  0.420922D+01  0.798889D+01 -0.168812D+01 -0.123496D+01
      3   0.593835D+00 -0.207583D+01 -0.168812D+01  0.328513D+01  0.174030D+01
               116           117           118           119           120 
      1  -0.123496D+01  0.174030D+01 -0.654881D+00 -0.809071D+00  0.243608D+01
      2  -0.231346D+01  0.227327D+01 -0.809071D+00  0.215868D-01 -0.793789D+00
      3   0.227327D+01 -0.225729D+01  0.243608D+01 -0.793789D+00 -0.316367D+01
               121           122           123           124           125 
      1  -0.586109D+01  0.199901D+01  0.193078D+00  0.271332D+01 -0.121954D+01
      2   0.199901D+01 -0.500465D+01 -0.160022D+01 -0.121954D+01  0.173359D+00
      3   0.193078D+00 -0.160022D+01 -0.983954D+00 -0.352959D+01 -0.239405D+00
               126           127           128           129           130 
      1  -0.352959D+01 -0.170907D+01  0.135662D+01 -0.121506D+01  0.144398D+01
      2  -0.239405D+00  0.135662D+01 -0.969649D+00  0.951352D+00 -0.155417D+01
      3   0.367892D+01 -0.121506D+01  0.951352D+00 -0.119662D+01  0.116207D+01
               131           132           133           134           135 
      1  -0.155417D+01  0.116207D+01 -0.179699D+01  0.165402D+01 -0.128203D+01
      2   0.414566D+01 -0.284442D+01  0.165402D+01 -0.279508D+01  0.222558D+01
      3  -0.284442D+01  0.286627D+01 -0.128203D+01  0.222558D+01 -0.247171D+01
               136           137           138           139           140 
      1   0.350781D+01  0.204596D+01 -0.404100D+00  0.254427D+01  0.260488D+01
      2   0.204596D+01  0.205845D+01 -0.374478D+00  0.260488D+01  0.446359D+01
      3  -0.404100D+00 -0.374478D+00  0.531050D+00 -0.987095D+00 -0.147987D+01
               141           142           143           144           145 
      1  -0.987095D+00 -0.740468D+00 -0.776891D+00  0.438373D+00  0.182203D+01
      2  -0.147987D+01 -0.776891D+00 -0.191321D+01  0.789681D+00 -0.148803D+01
      3   0.120030D+01  0.438373D+00  0.789681D+00 -0.719600D+00  0.147016D+01
               146           147           148           149           150 
      1  -0.148803D+01  0.147016D+01 -0.144288D+01  0.178668D+01 -0.125382D+01
      2   0.142579D+01 -0.116944D+01  0.178668D+01 -0.534028D+01  0.306696D+01
      3  -0.116944D+01  0.130028D+01 -0.125382D+01  0.306696D+01 -0.273452D+01
               151           152           153           154           155 
      1   0.137313D+01 -0.162035D+01  0.118263D+01 -0.323710D+01 -0.245732D+01
      2  -0.162035D+01  0.331694D+01 -0.224713D+01 -0.245732D+01 -0.284717D+01
      3   0.118263D+01 -0.224713D+01  0.202419D+01  0.540053D+00  0.409763D+00
               156           157           158           159           160 
      1   0.540053D+00 -0.297247D+01 -0.327040D+01  0.101092D+01  0.682294D+00
      2   0.409763D+00 -0.327040D+01 -0.601489D+01  0.145877D+01  0.700046D+00
      3  -0.304056D+00  0.101092D+01  0.145877D+01 -0.104429D+01 -0.376493D+00
               161           162           163           164           165 
      1   0.700046D+00 -0.376493D+00 -0.302856D+01 -0.169615D+01 -0.390806D+00
      2   0.202363D+01 -0.764667D+00 -0.169615D+01 -0.162066D+01 -0.732740D+00
      3  -0.764667D+00  0.484219D+00 -0.390806D+00 -0.732740D+00 -0.778169D+00
               166           167           168           169           170 
      1  -0.445206D+01 -0.277087D+01 -0.144146D+01  0.190555D+01 -0.639286D+00
      2  -0.277087D+01 -0.701618D+01 -0.258771D+01 -0.639286D+00 -0.104852D+01
      3  -0.144146D+01 -0.258771D+01 -0.175726D+01 -0.794191D+00 -0.113947D+01
               171           172           173           174           175 
      1  -0.794191D+00 -0.149542D+01  0.716629D+00 -0.119966D+01  0.404572D+01
      2  -0.113947D+01  0.716629D+00 -0.400923D+00  0.342320D-01 -0.931591D+00
      3  -0.141688D+01 -0.119966D+01  0.342320D-01 -0.985121D+00  0.959211D+00
               176           177           178           179           180 
      1  -0.931591D+00  0.959211D+00 -0.226753D+01  0.269132D+00 -0.253173D+01
      2   0.582592D+00 -0.146489D+01  0.269132D+00 -0.105818D+01  0.122277D+01
      3  -0.146489D+01  0.284359D+01 -0.253173D+01  0.122277D+01 -0.833225D+01
               181           182           183           184           185 
      1  -0.113364D+02 -0.112637D+01 -0.379074D+01 -0.226005D+01 -0.161205D+01
      2  -0.112637D+01 -0.116686D+01 -0.188364D+00 -0.161205D+01  0.436254D-01
      3  -0.379074D+01 -0.188364D+00 -0.230408D+01 -0.106925D+00 -0.565062D+00
               186           187           188           189           190 
      1  -0.106925D+00 -0.588634D+01  0.494344D-01 -0.280061D+01 -0.251905D+00
      2  -0.565062D+00  0.494344D-01 -0.636268D+00 -0.727444D+00  0.102061D+01
      3  -0.794081D+00 -0.280061D+01 -0.727444D+00 -0.222480D+01 -0.475030D+00
               191           192           193           194           195 
      1   0.102061D+01 -0.475030D+00  0.993035D+00 -0.619924D+00  0.219670D+00
      2  -0.297741D+00 -0.961249D-03 -0.619924D+00  0.301672D+01 -0.224301D+01
      3  -0.961249D-03 -0.238150D+00  0.219670D+00 -0.224301D+01  0.242697D+01
               196           197           198           199           200 
      1  -0.109574D+01  0.559092D+00 -0.502817D+00  0.579190D+01  0.240236D+00
      2   0.559092D+00 -0.365282D+01  0.327922D+01  0.240236D+00  0.193972D+01
      3  -0.502817D+00  0.327922D+01 -0.534422D+01  0.157986D+01  0.474623D+00
               201           202           203           204           205 
      1   0.157986D+01  0.563606D+00  0.816437D+00  0.219380D+00  0.213868D+01
      2   0.474623D+00  0.816437D+00  0.928175D+00  0.406893D+00  0.282946D+00
      3   0.141627D+01  0.219380D+00  0.406893D+00  0.751048D+00  0.928412D+00
               206           207           208           209           210 
      1   0.282946D+00  0.928412D+00 -0.625664D+01  0.365686D+01  0.259972D+01
      2   0.104921D+01  0.112639D+01  0.365686D+01 -0.322392D+01 -0.131330D+01
      3   0.112639D+01  0.128574D+01  0.259972D+01 -0.131330D+01 -0.178095D+01
               211           212           213           214           215 
      1   0.247994D+01 -0.264891D+01 -0.111063D+01  0.351637D+01 -0.208183D+01
      2  -0.264891D+01  0.261853D+01  0.115955D+01 -0.208183D+01  0.217367D+01
      3  -0.111063D+01  0.115955D+01  0.118020D+01 -0.231054D+01  0.200603D+01
               216           217           218           219           220 
      1  -0.231054D+01  0.585908D+01  0.446291D+00  0.127900D+01  0.551892D+00
      2   0.200603D+01  0.446291D+00  0.768695D+00 -0.150758D+00  0.248651D+00
      3   0.197136D+01  0.127900D+01 -0.150758D+00  0.242790D+01  0.465450D-01
               221           222           223           224           225 
      1   0.248651D+00  0.465450D-01  0.199025D+01 -0.611499D-01  0.119384D+01
      2  -0.429956D+00  0.462956D+00 -0.611499D-01  0.530718D+00  0.159508D+00
      3   0.462956D+00  0.727324D+00  0.119384D+01  0.159508D+00  0.270754D+01
               226           227           228           229           230 
      1  -0.112011D+01 -0.128472D+01  0.680060D+00 -0.197948D+01 -0.211852D+01
      2  -0.128472D+01 -0.144735D+01  0.628365D-01 -0.211852D+01 -0.850536D+01
      3   0.680060D+00  0.628365D-01 -0.404083D+00  0.422556D+00  0.910043D+00
               231           232           233           234           235 
      1   0.422556D+00  0.209200D+00 -0.116846D+00 -0.264582D+00 -0.695289D+01
      2   0.910043D+00 -0.116846D+00 -0.460902D+00 -0.646374D+00  0.933424D+00
      3  -0.127366D+01 -0.264582D+00 -0.646374D+00 -0.491624D-01  0.433685D+01
               236           237           238           239           240 
      1   0.933424D+00  0.433685D+01  0.262323D+01 -0.144795D+01 -0.162785D+01
      2  -0.123531D+01 -0.474020D+00 -0.144795D+01  0.463242D+00  0.842840D+00
      3  -0.474020D+00 -0.329200D+01 -0.162785D+01  0.842840D+00  0.196894D+01
               241           242           243           244           245 
      1   0.397566D+01 -0.599661D+00 -0.352004D+01 -0.242298D+00 -0.161668D+01
      2  -0.599661D+00  0.552405D+00  0.814026D+00 -0.161668D+01  0.872612D+00
      3  -0.352004D+01  0.814026D+00  0.384373D+01  0.440362D+00 -0.393941D+00
               246           247           248           249           250 
      1   0.440362D+00 -0.270649D+01  0.144207D+01 -0.769910D+00  0.695428D+00
      2  -0.393941D+00  0.144207D+01 -0.447639D+01  0.199338D+01 -0.550541D+00
      3   0.758564D+00 -0.769910D+00  0.199338D+01 -0.200503D+01  0.139569D+01
               251           252           253           254           255 
      1  -0.550541D+00  0.139569D+01 -0.765540D+01 -0.182825D+01 -0.649872D+01
      2   0.207222D+01 -0.146908D+01 -0.182825D+01  0.571134D+00 -0.580265D+00
      3  -0.146908D+01  0.248979D+01 -0.649872D+01 -0.580265D+00  0.118746D+01
               256           257           258           259           260 
      1   0.301474D+01  0.235952D+01  0.139057D+01 -0.300741D+01  0.623502D+00
      2   0.235952D+01 -0.142662D+01  0.371139D+01  0.623502D+00  0.352940D+01
      3   0.139057D+01  0.371139D+01  0.279597D+01  0.282484D+01  0.109442D+01
               261           262           263           264           265 
      1   0.282484D+01  0.469043D+01 -0.166735D+01 -0.341565D+01  0.516348D+00
      2   0.109442D+01 -0.166735D+01  0.128231D+01  0.105686D+01  0.581287D+00
      3  -0.926642D+00 -0.341565D+01  0.105686D+01  0.315207D+01 -0.482161D+00
               266           267           268           269           270 
      1   0.581287D+00 -0.482161D+00 -0.462768D+01  0.161986D+01  0.469564D+01
      2  -0.835396D+00 -0.496718D+00  0.161986D+01 -0.168959D+01 -0.174897D+01
      3  -0.496718D+00  0.378310D+00  0.469564D+01 -0.174897D+01 -0.573823D+01
               271           272           273           274           275 
      1   0.381657D+00  0.829878D+00  0.180122D+00  0.147851D+01  0.672616D-01
      2   0.829878D+00 -0.689085D+00 -0.182583D-01  0.672616D-01  0.587332D+01
      3   0.180122D+00 -0.182583D-01 -0.415782D+00  0.257532D+00 -0.473016D+00
               276           277           278           279           280 
      1   0.257532D+00 -0.829818D+00 -0.149161D+00 -0.543437D+00  0.117329D+02
      2  -0.473016D+00 -0.149161D+00 -0.198451D+01  0.373019D+00  0.222468D+01
      3   0.134811D+01 -0.543437D+00  0.373019D+00 -0.109184D+01  0.538999D+01
               281           282           283           284           285 
      1   0.222468D+01  0.538999D+01  0.346675D+00  0.111204D+01  0.170451D+00
      2   0.156847D+01  0.135558D+01  0.111204D+01  0.628759D+00  0.381534D+00
      3   0.135558D+01  0.360613D+01  0.170451D+00  0.381534D+00 -0.172089D+00
               286           287           288           289           290 
      1   0.375051D+01  0.747274D+00  0.284916D+01 -0.176439D+01  0.216149D+00
      2   0.747274D+00  0.296322D+00  0.677983D+00  0.216149D+00 -0.907878D+00
      3   0.284916D+01  0.677983D+00  0.292320D+01  0.227699D+01 -0.635951D+00
               291           292           293           294           295 
      1   0.227699D+01 -0.576987D+00 -0.507345D+00 -0.103454D+00  0.208442D+01
      2  -0.635951D+00 -0.507345D+00  0.179170D+00  0.342806D+00 -0.936459D-01
      3  -0.352234D+01 -0.103454D+00  0.342806D+00 -0.866034D+00 -0.163475D+01
               296           297 
      1  -0.936459D-01 -0.163475D+01
      2   0.660518D+00  0.647139D+00
      3   0.647139D+00  0.618177D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.123825D+01  0.347924D+01 -0.156491D+00  0.574973D+01  0.866649D+00
      2   0.437161D+01 -0.441638D+01  0.431120D+01 -0.174076D+01 -0.577498D+01
      3  -0.153471D+02 -0.721125D+01  0.210684D+01 -0.243646D+01 -0.245452D+01
                 6             7             8             9            10 
      1  -0.193232D+01  0.548718D+01  0.264042D+01  0.112732D+01 -0.476714D+01
      2   0.195843D+01 -0.120053D+02 -0.348998D+01  0.785247D+00 -0.779766D+01
      3   0.105712D+01  0.577568D+01  0.939712D+00 -0.680150D+00  0.205982D+02
                11            12            13            14            15 
      1  -0.237800D+01  0.680072D+00 -0.101860D+02  0.490294D+01 -0.190835D+01
      2   0.157227D+01 -0.241456D+01  0.762939D+01  0.444893D+01 -0.176881D+01
      3   0.158297D+01  0.187934D+01  0.212052D+02  0.211993D+01  0.220140D+01
                16            17            18            19            20 
      1   0.338283D+01  0.664908D+01 -0.554966D+01 -0.129797D+00 -0.954702D+00
      2  -0.157407D+02 -0.172531D+01 -0.100095D+00  0.551778D+01 -0.639732D+00
      3  -0.102985D+01  0.175005D+01  0.641230D+00  0.802275D+01 -0.425597D+01
                21            22            23            24            25 
      1  -0.620397D-02 -0.178778D+01 -0.202022D+01 -0.270335D+01 -0.684145D+01
      2   0.161104D+01 -0.720168D+01  0.223663D+01 -0.101596D+01 -0.985209D+01
      3   0.321530D+01 -0.213242D+01  0.803709D+00 -0.169113D+01  0.113426D+02
                26            27            28            29            30 
      1   0.153427D+01 -0.436433D+01  0.208756D+01 -0.469242D+01  0.367826D+01
      2   0.170570D+01 -0.277559D+01  0.441636D+01  0.216874D+01  0.793312D-01
      3  -0.155750D+01  0.531977D+01 -0.164528D+02  0.607374D+00 -0.481795D+01
                31            32            33            34            35 
      1  -0.697658D+01  0.395897D+01 -0.146448D+01  0.841631D+01  0.719118D+01
      2   0.601154D+01  0.462983D+01  0.207044D+01 -0.113487D+02 -0.902396D+00
      3   0.238178D+02  0.406468D+01  0.185141D+01 -0.105625D+02  0.107478D+01
                36            37            38            39            40 
      1  -0.174116D+01 -0.315747D+01  0.111642D+01 -0.110135D+01  0.820044D+00
      2  -0.549361D+01  0.479104D-01 -0.403873D+01  0.369100D+01  0.534422D-01
      3  -0.652043D+01  0.445771D+01 -0.439332D+01  0.534216D+01  0.131880D+02
                41            42            43            44            45 
      1   0.538633D+00 -0.175314D+01  0.373827D+01  0.126604D+01  0.463075D+01
      2  -0.426857D+01 -0.574359D+00 -0.951999D+01 -0.312995D+01  0.976589D+00
      3  -0.312774D+00  0.370491D+01  0.528772D+01  0.389039D+00  0.446908D+00
                46            47            48            49            50 
      1   0.453777D+01  0.128953D+01 -0.203076D+01 -0.480124D+01 -0.727438D+00
      2   0.666254D+01 -0.124044D+01  0.174226D+01 -0.850976D+01  0.226933D+01
      3  -0.734659D+01 -0.413787D+01 -0.168355D+01  0.996307D+01 -0.428625D+00
                51            52            53            54            55 
      1  -0.355707D+01 -0.703992D+01  0.258006D+01 -0.179632D+01  0.315557D+01
      2  -0.119549D+00 -0.648168D+01  0.284036D+01 -0.274969D+01  0.241056D+02
      3   0.142841D+01 -0.558745D+01 -0.345382D+01  0.168886D+01 -0.185934D+02
                56            57            58            59            60 
      1  -0.315186D+00 -0.141953D+01 -0.371976D+01 -0.698025D+01 -0.703229D+01
      2  -0.509315D+01 -0.311672D+01 -0.103345D+02 -0.110866D+01  0.112846D+02
      3   0.510035D+01  0.343857D+01  0.244113D+02  0.145888D+02  0.715306D+01
                61            62            63            64            65 
      1  -0.192896D+01 -0.139351D+01  0.743381D+01 -0.263216D+01 -0.189697D+00
      2  -0.278846D+02  0.108743D+02 -0.118986D+02 -0.348098D+02  0.479349D+01
      3   0.936231D+01  0.255497D+01 -0.115826D+02  0.205689D+02 -0.851922D+01
                66            67            68            69            70 
      1   0.424006D+00  0.454959D+01  0.473191D+00 -0.406327D+01  0.183793D-01
      2   0.250790D+01  0.122841D+02  0.448556D+00 -0.141622D+02  0.609291D+01
      3  -0.284476D+01 -0.437743D+01 -0.202085D+02 -0.403977D+01 -0.137993D+02
                71            72            73            74            75 
      1   0.339310D+01 -0.482444D+00  0.937009D+01 -0.283857D+01 -0.101772D+01
      2  -0.161900D+02  0.656759D+01  0.206712D+02 -0.456899D+01  0.867107D+00
      3  -0.482953D+01  0.165476D+02 -0.178165D+02 -0.287484D+01 -0.415547D+01
                76            77            78            79            80 
      1  -0.214618D+01 -0.259626D+01  0.638206D+01 -0.351120D+01  0.135399D+02
      2  -0.415036D+01 -0.323832D+01  0.138334D+02 -0.571764D+01  0.179944D+02
      3  -0.222958D+01  0.151085D+02  0.594046D+01 -0.459420D+01  0.887298D+01
                81            82            83            84            85 
      1  -0.625712D+01 -0.578190D+01  0.304253D+01  0.259913D+01  0.561921D+01
      2  -0.106217D+02  0.261659D+02 -0.246465D+01  0.786366D+01 -0.539443D+01
      3  -0.180773D+02 -0.889093D+01  0.514897D+01  0.847306D+01  0.118880D+02
                86            87            88            89            90 
      1   0.120196D+02 -0.510745D+01  0.379791D+01  0.153437D+01 -0.470540D+01
      2  -0.247605D+01  0.114599D+02  0.602314D+01  0.111148D+02 -0.361922D+01
      3   0.269265D+02 -0.118247D+00  0.126946D+02  0.501359D+01 -0.136191D+02
                91            92            93            94            95 
      1  -0.193408D+01 -0.214175D+01 -0.395329D+00 -0.583319D+01  0.195869D+01
      2   0.143255D+02 -0.143495D+01 -0.134892D+01 -0.461212D+01 -0.110658D+02
      3  -0.498794D+00 -0.102384D+01  0.194140D+01  0.158150D+02 -0.653628D+01
                96            97            98            99           100 
      1  -0.896421D+01  0.157155D+01  0.253942D-01  0.189404D+00  0.267723D+01
      2  -0.437005D+01 -0.328610D+02 -0.146421D+01  0.152155D+01 -0.261298D+02
      3   0.146063D+02  0.426036D+01  0.115532D+02  0.293422D+01  0.516026D+01
               101           102           103           104           105 
      1   0.666224D+01  0.256753D+01  0.318772D+01  0.245650D+01  0.633229D+01
      2   0.331226D+01  0.854836D+01  0.125834D+02  0.890562D+01 -0.906368D+01
      3   0.151510D+01 -0.177816D+01  0.801231D+01  0.126896D+02 -0.100616D+02
               106           107           108           109           110 
      1  -0.138916D+01  0.458928D+01  0.113030D-01 -0.174479D+01 -0.332333D+01
      2  -0.252277D+01 -0.342205D+01  0.595210D+01  0.128858D+01 -0.142417D+01
      3  -0.171541D+01 -0.179311D+02  0.834748D+00 -0.104802D+02 -0.117391D+02
               111           112           113           114           115 
      1  -0.322363D+01 -0.218378D+00 -0.562540D+01 -0.758030D+01 -0.976467D+00
      2   0.545609D+01 -0.120548D+02 -0.810602D+01  0.139793D+02  0.797232D+01
      3   0.143713D+01 -0.605060D+01 -0.332415D+02  0.560164D+01 -0.715965D+00
               116           117           118           119           120 
      1   0.345788D+01  0.167837D+01  0.289218D+01 -0.899253D+00 -0.101326D+01
      2   0.944978D+01 -0.122999D+02  0.112450D+02 -0.416082D+01 -0.831560D+01
      3   0.121908D+02 -0.834627D+01  0.371324D+01 -0.225775D+01  0.929921D+00
               121           122           123           124           125 
      1   0.332659D+01  0.341989D+01 -0.746516D+01 -0.201061D+01  0.161180D+01
      2   0.214587D+01 -0.496861D+01 -0.491167D+01 -0.107689D+02 -0.144696D+01
      3  -0.201333D+00  0.194491D+02  0.391636D+01  0.420212D+01  0.140687D+01
               126           127           128           129           130 
      1   0.295950D+01 -0.872303D+00  0.893176D+00  0.962536D+00  0.130939D+01
      2   0.110589D+02 -0.305290D+01  0.108608D+01 -0.121827D+00  0.221010D+01
      3   0.427753D+01 -0.295217D+01  0.582829D+00 -0.527401D+00  0.234074D+01
               131           132           133           134           135 
      1  -0.331798D+01 -0.119883D+01 -0.153839D+01  0.392419D+01 -0.209720D+00
      2   0.398356D+00 -0.169405D+01 -0.391140D+01  0.342500D+00  0.112032D+01
      3   0.148384D+01 -0.637948D+00 -0.234430D+01 -0.789991D+00  0.195428D+00
               136           137           138           139           140 
      1  -0.163314D+01 -0.240928D+01 -0.156623D+01 -0.112660D+01 -0.163020D+01
      2   0.401679D+01  0.182619D+01  0.740153D+00  0.259569D+01  0.143538D+01
      3   0.578010D+01  0.641394D+00 -0.367979D+00  0.469749D+01 -0.111665D+01
               141           142           143           144           145 
      1  -0.257530D+01 -0.197873D+00  0.185348D+01  0.578262D-01  0.171131D+01
      2   0.117261D+01 -0.501467D+00 -0.462183D+00 -0.673315D+00 -0.113572D+01
      3  -0.197530D+00  0.635857D+00  0.121575D+01  0.205225D+00 -0.434328D+01
               146           147           148           149           150 
      1  -0.531690D+00  0.267863D+01 -0.762828D+00  0.500316D+00 -0.450250D+01
      2   0.214718D+00  0.359901D+00  0.886032D+00  0.670949D+00 -0.192963D+01
      3   0.104371D+01 -0.197637D+01  0.348126D+01 -0.214956D-02  0.943812D+00
               151           152           153           154           155 
      1   0.569363D+00  0.117992D+01  0.207026D+01  0.702120D+00 -0.626360D+00
      2  -0.234885D+01 -0.172538D+00  0.736203D+00  0.141967D+01  0.646568D+00
      3  -0.344741D+01  0.755616D+00 -0.118308D+01  0.655112D+01  0.771942D+00
               156           157           158           159           160 
      1  -0.192171D+01  0.188572D+01  0.168031D+01 -0.389720D+01 -0.113030D+00
      2   0.972383D+00  0.850485D-01  0.313575D+00  0.172690D+01 -0.127962D+01
      3  -0.896015D+00  0.557487D+01 -0.123810D+01 -0.620088D+00  0.603845D-01
               161           162           163           164           165 
      1   0.717133D+00  0.875760D+00  0.184800D+01  0.195056D+01 -0.126279D+00
      2   0.171083D+00 -0.585620D+00 -0.335978D+01 -0.111813D+00  0.314910D+01
      3   0.115813D+01 -0.614995D-01 -0.442617D+01 -0.552874D+01 -0.211773D+01
               166           167           168           169           170 
      1   0.258603D+01  0.903621D+01 -0.476051D+00  0.681379D+00  0.180694D+01
      2  -0.123107D+01  0.379110D+01  0.430078D+01  0.283821D+01  0.217899D+01
      3  -0.315927D+01 -0.215626D+02 -0.772040D+01 -0.371072D+01 -0.320880D+01
               171           172           173           174           175 
      1   0.345794D-01 -0.170188D+01  0.871143D+00 -0.495596D+00  0.157469D+01
      2   0.369294D+01  0.250652D+01  0.570119D+00  0.271155D+01  0.244797D+01
      3  -0.278296D+01  0.471524D+01 -0.317655D+01  0.111187D+01 -0.391901D+01
               176           177           178           179           180 
      1  -0.248969D+01  0.283744D+01 -0.170787D+01  0.544583D+01 -0.662351D+01
      2   0.326480D+01 -0.847628D+01  0.269681D+01 -0.346456D+01  0.238049D+02
      3   0.224654D+01 -0.563532D+01  0.209996D+01 -0.431124D+01  0.684042D+01
               181           182           183           184           185 
      1   0.333186D+00  0.110315D+01 -0.428076D-02  0.207920D+00  0.307123D-01
      2   0.921613D+01  0.618242D-01  0.111054D+02 -0.146958D+01  0.149331D+01
      3  -0.386971D+01 -0.819021D+01 -0.408547D+00 -0.481505D+01  0.826006D+00
               186           187           188           189           190 
      1  -0.669604D+00 -0.126367D+00  0.154988D+01  0.250291D+00  0.651533D+00
      2   0.378762D+01  0.593561D+01  0.372841D+01  0.832413D+01  0.206573D+01
      3  -0.229495D+01  0.174046D+01 -0.332475D+01 -0.331257D+01  0.556450D+01
               191           192           193           194           195 
      1   0.183600D-01  0.149841D+00 -0.222463D+00  0.324688D+01 -0.658529D+01
      2   0.161956D+00  0.116446D+01  0.102866D+00  0.832902D+01 -0.917728D+01
      3  -0.207789D+00 -0.852278D+00  0.133655D+01  0.110514D+02 -0.924404D+01
               196           197           198           199           200 
      1   0.265857D+00 -0.344029D+01  0.119026D+02 -0.284185D+01 -0.254339D+00
      2  -0.125021D+01 -0.119913D+02  0.206018D+02 -0.881692D+01 -0.183761D+01
      3  -0.118378D+01 -0.148203D+02  0.136023D+02  0.195734D+02  0.682641D+01
               201           202           203           204           205 
      1  -0.373225D+01 -0.285068D+00 -0.101115D+01 -0.224824D+01 -0.242374D+01
      2  -0.431219D+01 -0.831398D+00 -0.179474D+01 -0.221411D+01 -0.611175D+01
      3   0.580690D+01  0.734220D+01  0.440426D+01  0.258621D+01  0.599030D+01
               206           207           208           209           210 
      1  -0.570728D+00 -0.253944D+01 -0.578743D+01  0.193085D+01  0.508010D+01
      2  -0.401141D+01 -0.428936D+01 -0.104616D+02  0.530687D+01  0.921802D+01
      3   0.438238D+01  0.703914D+01  0.316700D+01 -0.925886D+01 -0.415929D+00
               211           212           213           214           215 
      1   0.292734D+01 -0.216583D+01 -0.395731D+01  0.494586D+01 -0.241550D+01
      2   0.372620D+01 -0.477147D+01 -0.564711D+01  0.787578D+01 -0.813444D+01
      3  -0.354994D+01  0.659444D+01  0.244369D+01 -0.371629D+00  0.641585D+01
               216           217           218           219           220 
      1  -0.464016D+01  0.464880D+00  0.241381D+01  0.128084D+01  0.114199D+01
      2  -0.883834D+01 -0.209237D+02  0.350186D+00 -0.117594D+02 -0.108786D+00
      3   0.462537D+01 -0.402329D+01  0.179925D+01 -0.188415D+01  0.333128D+01
               221           222           223           224           225 
      1  -0.147831D+00 -0.156094D+00  0.520525D+00  0.200674D+01  0.200762D+01
      2  -0.253879D+01 -0.301197D+01 -0.118463D+02 -0.735412D+00 -0.127925D+02
      3  -0.204967D+01  0.146563D+01 -0.248626D+01  0.108489D+01 -0.604835D+00
               226           227           228           229           230 
      1  -0.118215D+01 -0.203946D+01 -0.536037D+00 -0.221250D+01 -0.122513D+02
      2  -0.294151D+01  0.987878D+00  0.152303D+01  0.732735D+00 -0.295468D+01
      3  -0.522879D+01 -0.562313D+01 -0.165819D+00 -0.354491D+01 -0.354968D+02
               231           232           233           234           235 
      1  -0.315973D+01 -0.199071D+00 -0.168661D+00 -0.107062D+01  0.476648D+01
      2   0.576067D+01 -0.712467D+00  0.252622D+01  0.913327D+00 -0.942069D+01
      3   0.313506D+01 -0.469434D+00 -0.214423D+01 -0.242848D+01  0.866449D+01
               236           237           238           239           240 
      1  -0.378204D+01 -0.294457D+01 -0.313323D+01  0.191398D+01  0.128117D+01
      2   0.545624D+00  0.109866D+02  0.319457D+01 -0.195425D+01 -0.752806D+01
      3  -0.850186D+01 -0.485588D+01 -0.729882D+01  0.343764D+01  0.429011D+01
               241           242           243           244           245 
      1  -0.419417D+01  0.322970D+01  0.358715D+01 -0.197520D+01  0.108377D+01
      2   0.695397D+01 -0.258405D+01 -0.134506D+02  0.161123D+01  0.181807D+00
      3  -0.553990D+01  0.400421D+01  0.592175D+01  0.543080D+01 -0.267293D+01
               246           247           248           249           250 
      1  -0.345907D+00  0.102759D+01 -0.532184D+01 -0.491091D+00 -0.857834D+00
      2   0.267552D+01  0.420659D+00  0.492434D+01 -0.490475D+01  0.187646D+01
      3   0.151217D+01  0.207806D+00  0.133662D+02 -0.574733D+01  0.122352D+01
               251           252           253           254           255 
      1   0.329846D+01 -0.489468D+00  0.374898D+01  0.367920D+01 -0.374637D+01
      2  -0.367691D+01  0.571356D+01 -0.531581D+01  0.113290D+01  0.185037D+02
      3  -0.648773D+01  0.393678D+01 -0.411449D+01 -0.691493D+01 -0.626979D+01
               256           257           258           259           260 
      1   0.438220D+01 -0.100559D+02  0.399075D+01 -0.922604D+00  0.946853D+01
      2   0.246323D+01  0.919806D+01  0.702914D+01  0.153657D+02  0.334135D+01
      3  -0.815258D+01  0.681495D+01 -0.133282D+02 -0.805713D+01 -0.119622D+02
               261           262           263           264           265 
      1   0.558887D+01 -0.263992D+01 -0.726883D+00  0.295135D+01  0.147841D+00
      2  -0.712699D+01 -0.920240D+01  0.396121D+01  0.109232D+02 -0.160742D+01
      3  -0.215684D+01  0.180285D+01 -0.453243D+01 -0.102293D+01 -0.124288D+01
               266           267           268           269           270 
      1  -0.839303D+00 -0.289720D+00  0.394467D+01  0.757259D+00 -0.507701D+01
      2  -0.164280D+01  0.153595D+01  0.139433D+02 -0.599641D+01 -0.213857D+02
      3   0.200648D+01  0.154321D+01 -0.175867D+01  0.609513D+01  0.262534D+01
               271           272           273           274           275 
      1   0.252621D+01 -0.167985D+01  0.145232D+01 -0.915465D+00  0.135498D+02
      2   0.228952D+00 -0.111845D+01 -0.112830D+01 -0.142827D+01 -0.127092D+01
      3  -0.375778D+01  0.270592D+01 -0.640884D+00  0.392755D+01 -0.176598D+02
               276           277           278           279           280 
      1  -0.601000D+01  0.145620D+01 -0.414648D+01  0.481612D+01 -0.126579D+01
      2   0.321390D+01 -0.183313D+01  0.117493D+01 -0.245447D+01 -0.533126D+01
      3   0.232558D+01 -0.262281D+01  0.632552D+01 -0.233101D+01  0.484952D+01
               281           282           283           284           285 
      1   0.326848D+01 -0.168075D+01  0.193444D+01  0.143347D+01 -0.456090D+00
      2   0.823967D+00  0.428973D+01 -0.143744D+00 -0.102286D+01 -0.495475D+00
      3  -0.558286D+01  0.631236D+00 -0.178072D+01 -0.151407D+01 -0.277749D+00
               286           287           288           289           290 
      1  -0.183313D+01  0.978938D+00 -0.211311D+01 -0.266432D+01 -0.301963D+01
      2   0.393196D+00  0.570028D+00  0.475185D+01  0.127286D+02 -0.148895D+01
      3   0.217567D+01 -0.130199D+01  0.651862D+00 -0.364159D+01  0.171437D+01
               291           292           293           294           295 
      1   0.295963D+01 -0.196282D+01 -0.471937D+00  0.237881D+00  0.217908D+01
      2  -0.133403D+02  0.124589D+01  0.219971D+01 -0.204880D+01 -0.113327D+02
      3   0.418990D+01  0.221455D+01 -0.999463D+00 -0.670576D+00  0.314515D+01
               296           297 
      1   0.246829D+01 -0.589627D+01
      2   0.182609D+01  0.207249D+02
      3  -0.106029D+01 -0.464733D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.348046D+01  0.135786D+02 -0.485603D+01 -0.274103D+02  0.155993D+02
      2   0.577650D+01 -0.129086D+02  0.692737D+01  0.170098D+02 -0.471485D+01
      3  -0.229604D+01 -0.670025D+00 -0.207134D+01  0.104005D+02 -0.108844D+02
      4   0.100465D+02  0.425955D+01  0.596008D+01  0.156154D+02  0.125931D+00
      5  -0.965597D+01  0.748137D+01 -0.554482D+01 -0.731335D+01 -0.331944D+01
      6   0.861731D+01  0.159218D+01  0.620306D+00 -0.548848D+01  0.929496D+01
                 6             7             8             9            10 
      1  -0.138649D+02  0.108198D+02  0.388946D+01 -0.102333D+02  0.616268D+02
      2   0.677348D+01 -0.858894D+01  0.196729D+01 -0.973472D+01 -0.322883D+02
      3   0.709146D+01 -0.223084D+01 -0.585674D+01  0.199680D+02 -0.293384D+02
      4  -0.323245D+01  0.993490D+01 -0.725641D+01  0.346034D+01 -0.299145D+01
      5  -0.129033D+01  0.369922D+01  0.342867D+01 -0.132855D+01  0.105265D+02
      6  -0.667513D+01  0.670503D+01 -0.153449D+01  0.414210D+01  0.894724D+00
                11            12            13            14            15 
      1  -0.233070D+01  0.761244D+01 -0.108244D+02 -0.161435D+02  0.597395D+01
      2   0.630654D+01 -0.629353D+01  0.356239D+01  0.124545D+02 -0.105285D+02
      3  -0.397583D+01 -0.131891D+01  0.726196D+01  0.368909D+01  0.455457D+01
      4   0.791476D+01 -0.473181D+01 -0.112720D+02  0.308027D+01  0.580079D+00
      5  -0.404509D+01  0.221320D+01  0.122026D+02 -0.840635D-01  0.114954D+01
      6   0.165530D+01 -0.141712D+01 -0.764092D+00 -0.409370D+01  0.568395D+01
                16            17            18            19            20 
      1   0.293083D+01  0.753210D+01 -0.698626D+01  0.197245D+01 -0.141458D+02
      2  -0.484139D+01 -0.280208D+01 -0.170373D+01 -0.894516D+01  0.591916D+01
      3   0.191056D+01 -0.473001D+01  0.868999D+01  0.697271D+01  0.822668D+01
      4   0.143768D+02  0.280872D+01 -0.362338D-01 -0.133827D+02 -0.757565D+01
      5   0.953645D+01  0.274049D+00  0.485206D+01  0.316271D+01 -0.303362D+01
      6   0.969858D+01  0.110934D+02  0.513113D+01 -0.555581D+01 -0.534121D+01
                21            22            23            24            25 
      1   0.120555D+02  0.196901D+02  0.181120D+01 -0.253636D+01 -0.129026D+02
      2  -0.169169D+01 -0.134160D+02 -0.222147D+01  0.327966D+01  0.130768D+02
      3  -0.103638D+02 -0.627417D+01  0.410266D+00 -0.743292D+00 -0.174228D+00
      4  -0.906564D+00  0.639340D+01 -0.525125D+01  0.634070D+01 -0.897502D+01
      5   0.672552D+01  0.315510D+01  0.763144D+01 -0.218628D+01  0.770449D+01
      6   0.127694D+01  0.133563D+02  0.853851D+01  0.499795D+01 -0.841931D+01
                26            27            28            29            30 
      1  -0.147943D+02 -0.128629D+00  0.150251D+02  0.394243D+01  0.220756D+01
      2   0.149851D+02 -0.417659D+01 -0.124406D+02 -0.452189D+01 -0.297023D+01
      3  -0.190756D+00  0.430522D+01 -0.258456D+01  0.579457D+00  0.762670D+00
      4  -0.105432D+01 -0.304189D+01 -0.204593D+00  0.660273D+01 -0.140297D+01
      5  -0.188275D+01 -0.586954D+01  0.438141D+01 -0.123638D+01  0.397643D+01
      6  -0.323940D+00 -0.467547D+00  0.873303D+01  0.312875D+01 -0.117162D+01
                31            32            33            34            35 
      1  -0.689436D+01 -0.155816D+02  0.529879D+01 -0.533437D+01  0.859140D+01
      2  -0.319610D+01  0.942521D+01 -0.119451D+02 -0.599553D-01 -0.665062D+01
      3   0.100905D+02  0.615641D+01  0.664636D+01  0.539432D+01 -0.194078D+01
      4  -0.962885D+01 -0.223190D+01  0.123152D+01  0.165406D+02  0.386615D+01
      5   0.128774D+02  0.143040D+01  0.695583D+01  0.143871D+02  0.242126D+01
      6  -0.578324D+01 -0.612239D+01  0.461872D+01  0.451448D+01  0.100586D+02
                36            37            38            39            40 
      1  -0.231784D+01  0.835991D+01  0.190394D+02 -0.155313D+01 -0.200565D+02
      2  -0.178451D+01  0.258136D+01 -0.191573D+02  0.506429D+01  0.172130D+02
      3   0.410234D+01 -0.109413D+02  0.117945D+00 -0.351116D+01  0.284347D+01
      4   0.168907D+01  0.655331D+01 -0.186048D+01  0.606633D+01  0.940752D+01
      5  -0.343104D+00 -0.680124D+01  0.852652D+01 -0.662714D+01  0.131955D+01
      6   0.329161D+01  0.474700D+01 -0.356801D+01 -0.116379D+00 -0.926311D+01
                41            42            43            44            45 
      1   0.663630D+01 -0.108947D+02  0.576519D+01 -0.278906D+01 -0.804411D+01
      2   0.276650D+01  0.100390D+02 -0.954196D+01  0.744884D+01 -0.635666D+01
      3  -0.940281D+01  0.855765D+00  0.377677D+01 -0.465978D+01  0.144008D+02
      4   0.179808D+01 -0.520257D+01  0.471026D+01 -0.116611D+02  0.465086D+01
      5  -0.433228D+01 -0.406352D+01  0.923501D+01  0.432908D+01 -0.136918D+01
      6   0.123189D+02 -0.777787D+01  0.569755D+01  0.649157D+00 -0.561034D+00
                46            47            48            49            50 
      1  -0.168629D+01 -0.146801D+02  0.703780D+01  0.262794D+02 -0.516914D+01
      2  -0.712899D+01  0.702254D+01 -0.374068D+01 -0.208572D+02  0.295745D+01
      3   0.881528D+01  0.765755D+01 -0.329712D+01 -0.542224D+01  0.221169D+01
      4  -0.992339D+01 -0.975716D+01 -0.301203D+00  0.320583D-01 -0.696632D+01
      5  -0.406810D+01 -0.263453D+01  0.821077D+01  0.878016D+01  0.577618D+01
      6  -0.239469D+01 -0.748157D+01  0.500586D+01  0.109872D+02  0.118419D+02
                51            52            53            54            55 
      1  -0.174256D+01 -0.269586D+02 -0.209602D+02  0.307747D+00 -0.559108D+02
      2   0.392146D+01  0.165558D+02  0.230564D+02 -0.185552D+01  0.250825D+02
      3  -0.217890D+01  0.104028D+02 -0.209621D+01  0.154777D+01  0.308283D+02
      4   0.616514D+01 -0.804247D+01  0.271290D+01  0.823861D+00  0.115534D+02
      5   0.512278D+00  0.937235D+01 -0.123907D+01 -0.307333D+01  0.150246D+02
      6   0.586775D+01 -0.298823D+01  0.588419D+01  0.620460D+00  0.285034D+00
                56            57            58            59            60 
      1   0.101422D+02  0.116761D+02  0.266069D+02 -0.339131D+01 -0.994510D+01
      2  -0.520979D+01 -0.520752D+01 -0.214497D+02 -0.411478D+01 -0.620734D+01
      3  -0.493245D+01 -0.646856D+01 -0.515724D+01  0.750609D+01  0.161524D+02
      4  -0.165708D+02 -0.658300D+01 -0.266697D+02 -0.396239D+02 -0.172803D+02
      5  -0.707388D+01 -0.112660D+02 -0.101670D+02 -0.163470D+02  0.186584D+02
      6  -0.354971D+01 -0.165352D+01 -0.118181D+02 -0.142801D+02 -0.678254D+01
                61            62            63            64            65 
      1   0.406843D+02 -0.111640D+02  0.423588D+01 -0.428587D+02 -0.234980D+02
      2  -0.112006D+02 -0.259030D+01  0.147023D+02  0.258928D+02  0.998025D+01
      3  -0.294837D+02  0.137543D+02 -0.189382D+02  0.169660D+02  0.135177D+02
      4  -0.107317D+02 -0.747552D+01  0.148592D+02 -0.252717D+02  0.114625D+02
      5  -0.215716D+02  0.147963D+02 -0.336565D+02 -0.598817D+02  0.506121D+01
      6  -0.169561D+01 -0.386096D+01  0.514062D+01  0.899432D+00  0.389474D+00
                66            67            68            69            70 
      1  -0.545346D+02 -0.456771D+02  0.943679D+01  0.501007D+01 -0.920309D+02
      2   0.266828D+02  0.274886D+02 -0.971669D+01 -0.463423D+01  0.449328D+02
      3   0.278518D+02  0.181885D+02  0.279906D+00 -0.375839D+00  0.470980D+02
      4   0.601894D+01  0.942032D+01  0.380536D+02  0.541485D+01  0.141999D+02
      5  -0.577752D+01  0.877874D+01  0.394604D+01 -0.275264D+02 -0.842299D+01
      6   0.115805D+01  0.159306D+01 -0.311883D+00  0.503924D+00 -0.329661D+01
                71            72            73            74            75 
      1   0.942193D+01 -0.160557D+02  0.723613D+01  0.267739D+02  0.377937D+02
      2  -0.605347D+01  0.107144D+02 -0.117452D+02 -0.915950D+01 -0.167922D+02
      3  -0.336847D+01  0.534127D+01  0.450907D+01 -0.176144D+02 -0.210016D+02
      4   0.101501D+02 -0.295063D+02  0.259911D+02 -0.248488D+02 -0.225609D+02
      5  -0.299265D+02  0.103313D+02  0.381567D+02 -0.139152D+02 -0.521643D+01
      6   0.202852D+01  0.195736D+01 -0.185977D+02  0.454219D+01 -0.180393D+00
                76            77            78            79            80 
      1   0.285113D+02 -0.147481D+02 -0.122746D+02  0.484970D+02 -0.208640D+02
      2  -0.124795D+02  0.181097D+02  0.782553D+01 -0.206421D+02  0.116782D+02
      3  -0.160318D+02 -0.336166D+01  0.444908D+01 -0.278549D+02  0.918579D+01
      4  -0.177544D+02 -0.154048D+02 -0.430673D+01 -0.290606D+02 -0.583689D+01
      5  -0.102993D+02 -0.450511D+01  0.288599D+02 -0.107148D+02  0.376536D+02
      6   0.381725D+01  0.542087D+01 -0.148625D+02  0.538488D+01 -0.175117D+02
                81            82            83            84            85 
      1   0.594284D+01  0.330394D+01  0.169039D+02  0.499805D+02  0.271208D+02
      2  -0.111065D+02  0.141385D+02 -0.122991D+02 -0.255637D+02 -0.225155D+02
      3   0.516365D+01 -0.174424D+02 -0.460479D+01 -0.244168D+02 -0.460534D+01
      4   0.381693D+02  0.186970D+02 -0.106214D+02 -0.527917D+01 -0.150828D+02
      5  -0.216302D+02  0.458959D+02 -0.108041D+02 -0.219653D+02 -0.225080D+02
      6   0.119444D+02 -0.308801D+01  0.237147D+01  0.296437D+01  0.324018D+01
                86            87            88            89            90 
      1  -0.104100D+02 -0.129252D+02  0.570151D+02 -0.792335D+01 -0.792006D+01
      2  -0.951559D+01  0.132667D+02 -0.309366D+02  0.984168D+01  0.498209D+01
      3   0.199256D+02 -0.341492D+00 -0.260785D+02 -0.191832D+01  0.293798D+01
      4  -0.584589D+02 -0.187773D+01 -0.999218D+01 -0.114419D+02  0.245727D+02
      5   0.193709D+01  0.282613D+02 -0.193039D+02  0.256688D+02 -0.791406D+00
      6   0.100747D+02  0.305985D+01  0.497529D+01  0.342250D+01 -0.859449D+01
                91            92            93            94            95 
      1  -0.218617D+01  0.947893D+01  0.171049D+02  0.715708D+01  0.574934D+01
      2   0.374678D+00 -0.459733D+01 -0.519948D+01  0.768276D+00  0.240833D+01
      3   0.181149D+01 -0.488160D+01 -0.119055D+02 -0.792535D+01 -0.815768D+01
      4   0.916500D+01 -0.479510D+01 -0.982127D+00 -0.125698D+02  0.139714D+02
      5   0.153728D+02 -0.854497D+00 -0.798428D+01 -0.118851D+02 -0.270312D+02
      6  -0.118541D+00 -0.528902D+01 -0.766689D+00 -0.143566D+02  0.519424D+01
                96            97            98            99           100 
      1   0.256738D+01  0.368588D+02 -0.107584D+00 -0.123511D+02 -0.934433D+01
      2   0.451214D+01 -0.158887D+02 -0.284815D-01  0.703217D+01  0.181481D+01
      3  -0.707953D+01 -0.209701D+02  0.136065D+00  0.531897D+01  0.752952D+01
      4  -0.263054D+02 -0.110747D+02 -0.206204D+02  0.301759D-02 -0.158089D+02
      5  -0.933939D+01 -0.370488D+02  0.121975D-01 -0.250307D+01  0.397315D+01
      6  -0.170247D+02 -0.450102D+01 -0.127681D+02 -0.471877D+01  0.118178D+01
               101           102           103           104           105 
      1  -0.114149D+02 -0.581559D+01 -0.359788D+02 -0.161427D+02  0.141739D+02
      2   0.572463D+01  0.155002D+01  0.232521D+02  0.898987D+00 -0.137697D+02
      3   0.569027D+01  0.426556D+01  0.127266D+02  0.152438D+02 -0.404203D+00
      4  -0.177815D+02  0.380792D+01 -0.342703D+02 -0.190145D+02  0.198171D+02
      5   0.445319D+01  0.832510D+01  0.250020D+02  0.194016D+02 -0.202804D+02
      6   0.811235D+01 -0.109893D+01  0.985604D+01  0.320337D+01 -0.113592D+02
               106           107           108           109           110 
      1   0.982483D+01  0.733224D+01  0.170900D+02  0.499492D+02  0.261782D+02
      2   0.246215D+00 -0.409694D+01 -0.107482D+02 -0.230692D+02 -0.987776D+01
      3  -0.100710D+02 -0.323529D+01 -0.634185D+01 -0.268800D+02 -0.163005D+02
      4   0.837718D+01  0.323003D+02 -0.745526D+01  0.360166D+02  0.303876D+02
      5   0.176187D+02 -0.695021D+01 -0.509680D+01 -0.183933D+02 -0.696649D+01
      6  -0.112716D+00 -0.588522D+01  0.661607D+00 -0.681780D+01 -0.593641D+01
               111           112           113           114           115 
      1  -0.109429D+02  0.557566D+02  0.138590D+02 -0.819574D+01 -0.222979D+02
      2   0.624560D+01 -0.256516D+02  0.597625D+01  0.575191D+01  0.142022D+02
      3   0.469733D+01 -0.301050D+02 -0.198352D+02  0.244383D+01  0.809569D+01
      4  -0.469925D+01  0.435065D+02  0.691161D+02 -0.149418D+02 -0.116935D+02
      5   0.126076D+02 -0.241490D+02 -0.152279D+02  0.287729D+02  0.223864D+02
      6   0.389194D+01 -0.659459D+01 -0.170305D+02  0.146287D+02  0.364132D+01
               116           117           118           119           120 
      1  -0.186706D+01  0.226202D+01  0.342245D+00 -0.111470D+02  0.149974D+02
      2   0.123354D+01 -0.724885D+01  0.892745D+01  0.138972D+01 -0.135346D+02
      3   0.633526D+00  0.498683D+01 -0.926970D+01  0.975727D+01 -0.146279D+01
      4  -0.236117D+02  0.199087D+02 -0.856577D+01  0.945607D+01 -0.859213D+01
      5   0.192357D+02 -0.221692D+02  0.230134D+02 -0.544278D+01 -0.230877D+02
      6   0.142822D+02 -0.988469D+01 -0.270401D+01  0.358239D+00  0.363993D+01
               121           122           123           124           125 
      1  -0.261115D+02  0.286593D+01 -0.598395D+01  0.247951D+02 -0.131215D+02
      2   0.757373D+01  0.137478D+02  0.368635D+01 -0.204140D+02  0.684596D+01
      3   0.185378D+02 -0.166137D+02  0.229760D+01 -0.438106D+01  0.627551D+01
      4   0.314975D+02 -0.460670D+02 -0.129791D+02 -0.105609D+02 -0.913702D+00
      5   0.603155D+01 -0.101338D+02 -0.943009D+01 -0.299495D+02  0.105294D+00
      6  -0.661432D+01  0.126092D+02  0.125433D+02  0.446948D+01  0.728887D+01
               126           127           128           129           130 
      1  -0.298458D+02 -0.600373D-01  0.111526D+01 -0.283129D+01  0.340818D+01
      2   0.204992D+02 -0.902980D+00  0.274445D+00 -0.138204D+01 -0.253710D+01
      3   0.934662D+01  0.963017D+00 -0.138970D+01  0.421333D+01 -0.871084D+00
      4   0.110538D+01 -0.681577D+01  0.680301D+01 -0.467751D+01  0.770243D+01
      5   0.323872D+02  0.446935D+01 -0.437115D+01  0.540503D+01 -0.416676D+01
      6   0.442706D+00 -0.491394D+01  0.483172D+01 -0.431359D+01  0.624711D+01
               131           132           133           134           135 
      1  -0.158702D+02  0.129224D+02 -0.705622D+00  0.910074D+01 -0.109957D+02
      2   0.115239D+02 -0.398738D+01 -0.875878D+00 -0.448465D+01  0.120243D+01
      3   0.434637D+01 -0.893500D+01  0.158150D+01 -0.461609D+01  0.979330D+01
      4  -0.112409D+02  0.664379D+01 -0.695935D+01  0.873926D+01 -0.694221D+01
      5   0.487460D+01 -0.452836D+01  0.527221D+01 -0.491337D+01  0.719181D+01
      6  -0.170042D+02  0.141870D+02 -0.558767D+01  0.123789D+02 -0.125778D+02
               136           137           138           139           140 
      1   0.349306D+01 -0.212051D+01  0.234883D+00 -0.356438D+01 -0.123288D+02
      2   0.141877D+01  0.521590D+01 -0.521205D+00  0.630928D+01  0.172186D+02
      3  -0.491184D+01 -0.309539D+01  0.286323D+00 -0.274491D+01 -0.488982D+01
      4   0.865675D+01  0.815728D+01 -0.193529D+01  0.100065D+02  0.131652D+02
      5  -0.547432D+01 -0.337267D+01  0.336842D+01 -0.587432D+01 -0.716245D+01
      6  -0.202378D+01 -0.223294D+01  0.236132D+01 -0.482088D+01 -0.903521D+01
               141           142           143           144           145 
      1   0.459608D+01  0.132324D+01  0.573014D+01 -0.336254D+01 -0.325009D+01
      2  -0.356175D+01 -0.197472D+01 -0.595380D+01  0.198600D+01  0.363933D+01
      3  -0.103433D+01  0.651484D+00  0.223659D+00  0.137654D+01 -0.389244D+00
      4  -0.358767D+01 -0.282994D+01 -0.304546D+01  0.268881D+01 -0.815547D+01
      5   0.525165D+01  0.324671D+01  0.313356D+01 -0.277225D+01  0.475705D+01
      6   0.622174D+01  0.276534D+01  0.529291D+01 -0.379525D+01 -0.647180D+01
               146           147           148           149           150 
      1   0.450727D+01 -0.419732D+01  0.653171D+01 -0.235279D+02  0.147931D+02
      2  -0.484336D+01  0.213228D+01 -0.732681D+01  0.263236D+02 -0.114793D+02
      3   0.336098D+00  0.206504D+01  0.795102D+00 -0.279564D+01 -0.331384D+01
      4   0.932075D+01 -0.609117D+01  0.869060D+01 -0.130241D+02  0.687988D+01
      5  -0.417093D+01  0.485115D+01 -0.384470D+01  0.356556D+01 -0.354007D+01
      6   0.661884D+01 -0.597256D+01  0.720456D+01 -0.203370D+02  0.157076D+02
               151           152           153           154           155 
      1  -0.502113D+01  0.147198D+02 -0.120050D+02  0.181199D+01 -0.353572D+01
      2   0.499303D+01 -0.139696D+02  0.735859D+01  0.739191D+01  0.125750D+02
      3   0.280910D-01 -0.750208D+00  0.464636D+01 -0.920391D+01 -0.903923D+01
      4  -0.669169D+01  0.962098D+01 -0.688207D+01  0.153822D+02  0.159460D+02
      5   0.392523D+01 -0.372189D+01  0.468282D+01 -0.531431D+01 -0.384707D+01
      6  -0.600369D+01  0.143365D+02 -0.129629D+02 -0.162570D+01 -0.109675D+01
               156           157           158           159           160 
      1  -0.872648D+00 -0.194710D+01 -0.169631D+02  0.349904D+01  0.451242D+01
      2  -0.939220D+00  0.120964D+02  0.323396D+02 -0.552807D+01 -0.470496D+01
      3   0.181187D+01 -0.101493D+02 -0.153765D+02  0.202904D+01  0.192534D+00
      4  -0.298824D+01  0.172880D+02  0.244554D+02 -0.550466D+01 -0.323406D+01
      5   0.330163D+01 -0.673979D+01 -0.753964D+01  0.511191D+01  0.195537D+01
      6   0.255109D+01 -0.425479D+01 -0.782108D+01  0.619200D+01  0.286599D+01
               161           162           163           164           165 
      1   0.724076D+01 -0.299973D+01  0.142313D+02  0.755588D+01  0.377572D+00
      2  -0.104601D+02  0.348992D+01 -0.340080D+01 -0.221714D+01 -0.727289D+00
      3   0.321933D+01 -0.490186D+00 -0.108305D+02 -0.533874D+01  0.349716D+00
      4  -0.512416D+01  0.384533D+01  0.159262D+02  0.178522D+02  0.689379D+01
      5   0.398167D+01 -0.234823D+01  0.500573D+01  0.790164D+01  0.848412D+01
      6   0.532479D+01 -0.338110D+01  0.576145D+01  0.482464D+01  0.283173D+01
               166           167           168           169           170 
      1   0.134989D+02 -0.712481D+01 -0.270329D+01 -0.773387D+01 -0.122093D+01
      2  -0.173222D+01  0.176334D+02  0.304267D+01  0.270618D+01  0.354663D+00
      3  -0.117667D+02 -0.105086D+02 -0.339384D+00  0.502769D+01  0.866265D+00
      4   0.262761D+02  0.507642D+02  0.187000D+02  0.551646D+01  0.732048D+01
      5   0.134149D+02  0.181253D+02  0.126165D+02  0.747974D+01  0.773320D+01
      6   0.102324D+02  0.227826D+02  0.131541D+02  0.344426D+01  0.885697D+01
               171           172           173           174           175 
      1  -0.230888D+01  0.622071D+01 -0.380274D+01  0.585229D+01 -0.134415D+02
      2  -0.654969D+00 -0.797645D+01  0.243805D+01 -0.524749D+01  0.107448D+02
      3   0.296385D+01  0.175575D+01  0.136469D+01 -0.604802D+00  0.269669D+01
      4   0.828064D+01 -0.518238D+01  0.482119D+01 -0.521809D+00  0.666763D+01
      5   0.991537D+01  0.976438D+01 -0.153657D+01  0.141354D+02 -0.786901D+01
      6   0.580367D+01 -0.210401D+01  0.101487D+01  0.654650D-02  0.287891D+01
               176           177           178           179           180 
      1  -0.144119D+01  0.562060D+01  0.477013D+01  0.248009D+01 -0.172810D+02
      2  -0.186915D+01  0.665388D+01 -0.116979D+02  0.349566D+01 -0.237125D+02
      3   0.331034D+01 -0.122745D+02  0.692773D+01 -0.597575D+01  0.409935D+02
      4  -0.350548D+01  0.947303D+01 -0.153009D+01  0.729185D+01 -0.801357D+01
      5   0.974313D+01 -0.191433D+02  0.230744D+02 -0.793697D+01  0.538968D+02
      6  -0.316915D+01  0.703226D+01 -0.106261D+01  0.597379D+01 -0.237838D+01
               181           182           183           184           185 
      1   0.120833D+03  0.119527D+02  0.380882D+02  0.174687D+02  0.135458D+02
      2  -0.645997D+02 -0.737431D+01 -0.211974D+02 -0.898357D+01 -0.543186D+01
      3  -0.562328D+02 -0.457837D+01 -0.168908D+02 -0.848511D+01 -0.811396D+01
      4   0.105589D+02  0.139621D+02  0.171193D+01  0.195545D+02  0.825544D+00
      5   0.439789D+02  0.249112D+01  0.273508D+02  0.259192D+01  0.672123D+01
      6   0.126701D+01  0.115688D+01  0.894353D+00  0.313649D+01  0.119547D+01
               186           187           188           189           190 
      1   0.256358D+01  0.477928D+02  0.158573D+01  0.258988D+02  0.176199D+00
      2  -0.119294D+01 -0.282194D+02 -0.140282D+01 -0.183600D+02  0.124892D+01
      3  -0.137064D+01 -0.195733D+02 -0.182901D+00 -0.753876D+01 -0.142512D+01
      4   0.662794D+01  0.362723D+00  0.552928D+01  0.601537D+01 -0.876352D+01
      5   0.668008D+01  0.338494D+02  0.671705D+01  0.240590D+02  0.423193D+01
      6   0.300248D+01  0.832456D+00  0.219536D+01  0.818795D+00 -0.218587D+01
               191           192           193           194           195 
      1  -0.926967D+01  0.442132D+01 -0.620329D+01 -0.815049D+01  0.774484D+01
      2   0.446379D+01 -0.283215D+01  0.127550D+01  0.145850D+02 -0.102838D+02
      3   0.480588D+01 -0.158918D+01  0.492779D+01 -0.643453D+01  0.253894D+01
      4   0.703341D+01 -0.229972D+01  0.969488D+01 -0.232188D+02  0.170332D+02
      5  -0.143323D+01  0.530998D+01 -0.278680D+01  0.173106D+02 -0.185216D+02
      6  -0.236586D+00 -0.367707D+00  0.141625D+01 -0.134169D+02  0.151394D+02
               196           197           198           199           200 
      1   0.711427D+01  0.958536D+01 -0.114636D+02 -0.387040D+02 -0.116190D+02
      2  -0.246299D+01 -0.132249D+02  0.593748D+01  0.208325D+02  0.116345D+02
      3  -0.465128D+01  0.363956D+01  0.552614D+01  0.178715D+02 -0.155322D-01
      4  -0.846433D+01  0.288912D+02 -0.261938D+02  0.111203D+02 -0.792431D+01
      5   0.813686D+01 -0.261952D+02  0.418699D+02 -0.751449D+01 -0.143249D+01
      6  -0.348906D+01  0.180506D+02 -0.251579D+02  0.755507D+01  0.340476D+01
               201           202           203           204           205 
      1  -0.153598D+02 -0.829809D+01 -0.920792D+01 -0.276206D+01 -0.179354D+02
      2   0.777081D+01  0.680591D+01  0.828431D+01  0.329611D+01  0.840405D+01
      3   0.758898D+01  0.149218D+01  0.923616D+00 -0.534055D+00  0.953130D+01
      4   0.319473D+01  0.110310D+01 -0.244743D+01 -0.558967D+00  0.567611D+01
      5  -0.668750D+01 -0.229670D+00 -0.176756D+01 -0.413114D+01 -0.260242D+01
      6   0.670860D+01  0.229580D+01  0.234123D+01  0.503538D+01  0.405218D+01
               206           207           208           209           210 
      1  -0.509512D+01 -0.131045D+02  0.538155D+02 -0.245381D+02 -0.202378D+02
      2   0.506743D+01  0.662423D+01 -0.189958D+02  0.260652D+01  0.883041D+01
      3   0.276971D-01  0.648025D+01 -0.348197D+02  0.219316D+02  0.114074D+02
      4  -0.529664D+01 -0.419516D+01 -0.478329D+02  0.383076D+02  0.177558D+02
      5  -0.729981D+01 -0.553081D+01 -0.270720D+02  0.133924D+02  0.195602D+02
      6   0.667494D+01  0.498277D+01  0.115375D+02 -0.691899D+01 -0.837565D+01
               211           212           213           214           215 
      1  -0.174602D+02  0.142303D+02  0.553392D+01 -0.262164D+02  0.108054D+02
      2   0.159184D+00  0.270014D+01  0.752717D+00  0.104041D+02  0.129184D+00
      3   0.173010D+02 -0.169304D+02 -0.628664D+01  0.158123D+02 -0.109346D+02
      4   0.322874D+02 -0.297500D+02 -0.129041D+02  0.269063D+02 -0.234938D+02
      5   0.111967D+02 -0.114758D+02 -0.109262D+02  0.245355D+02 -0.185288D+02
      6  -0.680360D+01  0.731726D+01  0.802696D+01 -0.106921D+02  0.109348D+02
               216           217           218           219           220 
      1   0.126416D+02 -0.415836D+02 -0.303262D+01 -0.204230D+02 -0.484206D+01
      2  -0.514703D+01  0.147149D+02  0.124481D+01  0.191925D+01  0.285055D+01
      3  -0.749452D+01  0.268687D+02  0.178780D+01  0.185037D+02  0.199151D+01
      4  -0.213172D+02 -0.741180D+01 -0.507127D+01  0.546800D+00 -0.489573D-01
      5  -0.198344D+02  0.220298D+01  0.274988D+01 -0.100695D+02  0.156020D+01
      6   0.926825D+01  0.754118D+00  0.318804D+01 -0.160400D+01  0.165247D+01
               221           222           223           224           225 
      1  -0.505899D+01 -0.139920D+01 -0.209784D+02  0.348113D+00 -0.175860D+02
      2   0.383117D+01 -0.138766D+01  0.567573D+01 -0.140400D+01 -0.172533D+01
      3   0.122782D+01  0.278686D+01  0.153027D+02  0.105589D+01  0.193113D+02
      4   0.448228D+01 -0.252233D+01 -0.149636D+01 -0.274322D+01 -0.234533D+01
      5  -0.187236D+01 -0.524916D+01  0.948248D+00 -0.853909D+00 -0.129220D+02
      6  -0.684906D+00  0.309383D+01 -0.975598D+00  0.251580D+01 -0.114779D+01
               226           227           228           229           230 
      1   0.917568D+01  0.109245D+02 -0.596005D+01  0.144333D+02  0.230580D+01
      2  -0.303804D+01 -0.231313D+01  0.355917D+01 -0.224320D+01  0.211439D+02
      3  -0.613764D+01 -0.861136D+01  0.240088D+01 -0.121901D+02 -0.234497D+02
      4   0.138436D+02  0.174966D+02 -0.104689D+01  0.253176D+02  0.758413D+02
      5  -0.727193D+01 -0.222873D+01  0.579124D+01 -0.680735D+01 -0.101400D+02
      6  -0.200416D+01 -0.259169D+01  0.888102D+00 -0.541003D+01 -0.184359D+02
               231           232           233           234           235 
      1   0.555614D+00 -0.103824D+01  0.273315D+01 -0.235784D+00  0.656714D+02
      2   0.123474D+01  0.160765D+01  0.790877D+00  0.109632D+01 -0.444907D+02
      3  -0.179035D+01 -0.569410D+00 -0.352403D+01 -0.860538D+00 -0.211807D+02
      4  -0.826758D+01  0.154233D+01  0.458676D+01  0.578336D+01 -0.682954D+01
      5   0.111305D+02  0.453929D+01  0.560232D+01  0.375901D+00 -0.548633D+02
      6   0.722027D+01  0.969617D+00  0.561199D+01 -0.865893D+00  0.219448D+01
               236           237           238           239           240 
      1  -0.920389D+01 -0.350705D+02 -0.218440D+02  0.105948D+02  0.106095D+02
      2   0.665070D+01  0.276113D+02  0.153310D+02 -0.533051D+01 -0.105056D+02
      3   0.255319D+01  0.745922D+01  0.651303D+01 -0.526431D+01 -0.103890D+00
      4   0.134707D+02  0.291115D+01  0.146893D+02 -0.512664D+01 -0.811954D+01
      5   0.660255D+01  0.411600D+02  0.198884D+02 -0.102367D+02 -0.204709D+02
      6  -0.489873D+01 -0.831788D+00 -0.558623D+01  0.299739D+01  0.431335D+01
               241           242           243           244           245 
      1  -0.331486D+02  0.366027D+01  0.225480D+02  0.167377D+01 -0.711903D+01
      2   0.278977D+02 -0.455357D+01 -0.258103D+02 -0.337346D+00  0.358020D+01
      3   0.525088D+01  0.893301D+00  0.326234D+01 -0.133643D+01  0.353883D+01
      4   0.366323D+01 -0.585904D+01 -0.609107D+01 -0.112478D+02  0.906688D+01
      5   0.437490D+02 -0.839042D+01 -0.429473D+02  0.591443D+01 -0.480469D+01
      6  -0.165235D+01  0.373805D+01  0.180011D+01 -0.637130D+01  0.307041D+01
               246           247           248           249           250 
      1   0.983610D+00 -0.921415D+01 -0.477703D+01  0.459602D+01 -0.221883D+00
      2  -0.122311D+01  0.355981D+01  0.689160D+01 -0.113606D+01 -0.181243D+01
      3   0.239503D+00  0.565433D+01 -0.211456D+01 -0.345995D+01  0.203431D+01
      4  -0.441367D+01  0.129374D+02 -0.286736D+02  0.134111D+02 -0.545655D+01
      5   0.783955D+01 -0.664707D+01  0.136852D+02 -0.132583D+02  0.114580D+02
      6  -0.190615D+01  0.527445D+01 -0.161695D+02  0.102020D+02 -0.361446D+01
               251           252           253           254           255 
      1   0.228190D+01 -0.304181D+01 -0.307814D+02 -0.120717D+02 -0.459982D+02
      2   0.108562D+01 -0.350342D+01  0.356624D+02  0.112085D+02  0.144971D+02
      3  -0.336752D+01  0.654524D+01 -0.488108D+01  0.863163D+00  0.315010D+02
      4   0.132483D+02 -0.101646D+02 -0.193225D+02  0.212394D+01 -0.132325D+02
      5  -0.973601D+01  0.153653D+02 -0.581922D+02 -0.910439D+01 -0.154943D+02
      6   0.105312D+02 -0.825711D+01 -0.124670D+02  0.812290D+00 -0.446340D+00
               256           257           258           259           260 
      1  -0.257950D+01  0.312815D+01 -0.144733D+02 -0.382141D+02 -0.124041D+02
      2   0.346131D+01 -0.201846D+02  0.925711D+01  0.106967D+02  0.146190D+02
      3  -0.881811D+00  0.170565D+02  0.521619D+01  0.275174D+02 -0.221490D+01
      4   0.120360D+02 -0.711222D+01  0.187395D+02 -0.521738D+01  0.175156D+02
      5   0.286810D+01  0.228642D+02  0.110606D+02 -0.246483D+01  0.340217D+01
      6   0.104948D+02  0.391191D+01  0.174377D+02  0.602543D+01  0.131010D+02
               261           262           263           264           265 
      1   0.112119D+02  0.388985D+02 -0.102241D+02 -0.252461D+02  0.447102D+01
      2   0.473717D+01 -0.254306D+02  0.573281D+01  0.181421D+02 -0.563457D+01
      3  -0.159491D+02 -0.134679D+02  0.449132D+01  0.710407D+01  0.116355D+01
      4   0.874794D+01 -0.187094D+02  0.120744D+02  0.120701D+02  0.595101D+01
      5   0.229919D+01 -0.364410D+02  0.105592D+02  0.312935D+02 -0.509191D+01
      6   0.348390D+01  0.658290D+01 -0.330763D+01 -0.565055D+01 -0.201090D+01
               266           267           268           269           270 
      1   0.199091D+01 -0.440182D+01 -0.308734D+02  0.794766D+01  0.234421D+02
      2  -0.493869D+00  0.529796D+01  0.249836D+02 -0.562394D+01 -0.253452D+02
      3  -0.149704D+01 -0.896138D+00  0.588979D+01 -0.232372D+01  0.190315D+01
      4  -0.684336D+01 -0.451382D+01  0.178975D+02 -0.148031D+02 -0.178544D+02
      5  -0.468040D+01  0.459667D+01  0.456087D+02 -0.156148D+02 -0.520252D+02
      6   0.243824D+01  0.298410D+01 -0.810155D+01  0.619050D+01  0.106913D+02
               271           272           273           274           275 
      1   0.814587D+00  0.754734D+01  0.377399D+01  0.752255D+01 -0.172224D+02
      2   0.132181D+01 -0.671960D+01  0.302189D-01 -0.446807D+01  0.349210D+02
      3  -0.213639D+01 -0.827736D+00 -0.380421D+01 -0.305448D+01 -0.176986D+02
      4   0.414261D+01  0.775188D+00  0.801057D+00  0.577798D+01  0.287581D+02
      5   0.244736D+01  0.285832D+01  0.100305D+01  0.488847D+01 -0.538686D+01
      6   0.183696D+01 -0.199759D+01 -0.129646D+01  0.582782D+00  0.141002D+02
               276           277           278           279           280 
      1  -0.239073D+00 -0.128902D+01  0.462061D+01 -0.262225D+01  0.672655D+02
      2  -0.653568D+01  0.210747D+01 -0.105574D+02  0.483500D+01 -0.478908D+02
      3   0.677475D+01 -0.818458D+00  0.593676D+01 -0.221276D+01 -0.193747D+02
      4  -0.216177D+01 -0.192437D+01 -0.103973D+02  0.116710D+01  0.279498D+02
      5   0.780133D+01 -0.156911D+01  0.257044D+01 -0.729637D+01  0.653846D+02
      6   0.365267D+01 -0.147714D+01 -0.184365D+01 -0.261512D+01  0.129225D+02
               281           282           283           284           285 
      1   0.730243D+01  0.233504D+02  0.959943D+00  0.535720D+01  0.160302D+01
      2  -0.416821D+01 -0.231932D+02  0.150593D+01 -0.912644D+00  0.801393D-01
      3  -0.313422D+01 -0.157248D+00 -0.246588D+01 -0.444455D+01 -0.168316D+01
      4   0.151572D+02  0.139935D+02  0.121837D+02  0.635129D+01  0.466976D+01
      5   0.126570D+02  0.397453D+02  0.263308D+01  0.602792D+01  0.749069D+00
      6   0.889785D+01  0.968489D+01  0.650487D+01  0.300255D+01  0.360884D+01
               286           287           288           289           290 
      1   0.168984D+02  0.213323D+01  0.817853D+01 -0.144002D+02  0.524209D+01
      2  -0.185111D+02 -0.304666D+01 -0.162750D+02 -0.196362D+01 -0.281678D+01
      3   0.161267D+01  0.913424D+00  0.809652D+01  0.163639D+02 -0.242531D+01
      4   0.970696D+01  0.442688D+01  0.659421D+01 -0.286014D+01 -0.252754D+01
      5   0.332142D+02  0.628474D+01  0.275373D+02  0.110373D+01 -0.108819D+01
      6   0.681103D+01  0.399848D+01  0.696460D+01  0.367389D+01 -0.552343D+01
               291           292           293           294           295 
      1   0.267825D+02 -0.128485D+01 -0.593000D+01  0.245510D+01  0.180824D+02
      2   0.207797D+01 -0.453296D-01  0.252207D+01  0.246184D+01 -0.133240D+01
      3  -0.288604D+02  0.133018D+01  0.340794D+01 -0.491693D+01 -0.167500D+02
      4   0.285148D+01 -0.100217D+01 -0.503877D+00  0.362744D+00  0.452402D+01
      5  -0.265147D+01 -0.809785D+00 -0.179789D+01 -0.428301D+01  0.445332D+01
      6  -0.731459D+01 -0.337811D+01  0.666637D+00  0.465183D+01 -0.285968D+01
               296           297 
      1  -0.365406D+01 -0.350604D+02
      2   0.787171D-01 -0.121388D+02
      3   0.357534D+01  0.471992D+02
      4   0.162576D+01 -0.232597D+01
      5   0.216324D+01  0.165672D+02
      6   0.643190D+01  0.115580D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Wed Sep  8 13:49:50 2021, MaxMem=  6442450944 cpu:           35451.8 elap:            4435.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.19687 -19.14113 -10.32745 -10.21391 -10.20280
 Alpha  occ. eigenvalues --  -10.19605 -10.19265 -10.19202 -10.18990 -10.18956
 Alpha  occ. eigenvalues --  -10.18917 -10.18652 -10.18520 -10.17387 -10.17352
 Alpha  occ. eigenvalues --   -1.10898  -1.01850  -0.86703  -0.82137  -0.79564
 Alpha  occ. eigenvalues --   -0.74601  -0.74179  -0.68467  -0.68077  -0.67253
 Alpha  occ. eigenvalues --   -0.61463  -0.60766  -0.57542  -0.55698  -0.51673
 Alpha  occ. eigenvalues --   -0.50739  -0.49041  -0.47726  -0.46837  -0.45911
 Alpha  occ. eigenvalues --   -0.45112  -0.43712  -0.43167  -0.42795  -0.42377
 Alpha  occ. eigenvalues --   -0.41819  -0.39684  -0.38616  -0.38235  -0.37532
 Alpha  occ. eigenvalues --   -0.36948  -0.36606  -0.35331  -0.34394  -0.33741
 Alpha  occ. eigenvalues --   -0.33596  -0.33397  -0.32222  -0.29224  -0.26190
 Alpha  occ. eigenvalues --   -0.24728
 Alpha virt. eigenvalues --   -0.02703  -0.01952   0.00067   0.00848   0.01632
 Alpha virt. eigenvalues --    0.02918   0.03633   0.04581   0.04964   0.05477
 Alpha virt. eigenvalues --    0.06329   0.07273   0.07542   0.08024   0.08875
 Alpha virt. eigenvalues --    0.09312   0.09544   0.10289   0.10619   0.11218
 Alpha virt. eigenvalues --    0.11498   0.11955   0.12470   0.13115   0.13146
 Alpha virt. eigenvalues --    0.13794   0.14055   0.14617   0.15120   0.15416
 Alpha virt. eigenvalues --    0.15971   0.16451   0.16743   0.17686   0.17897
 Alpha virt. eigenvalues --    0.18265   0.18937   0.19394   0.19570   0.20151
 Alpha virt. eigenvalues --    0.20501   0.21325   0.21694   0.21990   0.22653
 Alpha virt. eigenvalues --    0.23162   0.24093   0.24284   0.24916   0.25827
 Alpha virt. eigenvalues --    0.26185   0.26425   0.26962   0.27033   0.27903
 Alpha virt. eigenvalues --    0.28170   0.28914   0.28993   0.29237   0.29928
 Alpha virt. eigenvalues --    0.30219   0.30899   0.31119   0.31702   0.31802
 Alpha virt. eigenvalues --    0.32116   0.32657   0.33026   0.33413   0.33487
 Alpha virt. eigenvalues --    0.33985   0.34471   0.34754   0.35016   0.35351
 Alpha virt. eigenvalues --    0.35661   0.36023   0.36170   0.36710   0.36970
 Alpha virt. eigenvalues --    0.37241   0.37528   0.37632   0.37848   0.38305
 Alpha virt. eigenvalues --    0.38566   0.38903   0.39136   0.39573   0.39722
 Alpha virt. eigenvalues --    0.40121   0.40230   0.41205   0.41492   0.41986
 Alpha virt. eigenvalues --    0.42633   0.42912   0.43201   0.43407   0.43600
 Alpha virt. eigenvalues --    0.44316   0.44583   0.44676   0.45474   0.45842
 Alpha virt. eigenvalues --    0.46187   0.46530   0.46845   0.47489   0.47746
 Alpha virt. eigenvalues --    0.48452   0.49035   0.49124   0.49443   0.49812
 Alpha virt. eigenvalues --    0.50183   0.51048   0.51302   0.51450   0.51597
 Alpha virt. eigenvalues --    0.52322   0.52574   0.52815   0.53353   0.53501
 Alpha virt. eigenvalues --    0.53936   0.54601   0.54874   0.55463   0.55873
 Alpha virt. eigenvalues --    0.56322   0.56996   0.57301   0.57441   0.58064
 Alpha virt. eigenvalues --    0.58536   0.58800   0.59375   0.59838   0.59920
 Alpha virt. eigenvalues --    0.60273   0.60806   0.61013   0.61889   0.62182
 Alpha virt. eigenvalues --    0.62403   0.62976   0.63280   0.63841   0.64667
 Alpha virt. eigenvalues --    0.64903   0.65781   0.66041   0.67129   0.67643
 Alpha virt. eigenvalues --    0.68560   0.68776   0.69273   0.70049   0.70766
 Alpha virt. eigenvalues --    0.71335   0.72046   0.72966   0.73482   0.73901
 Alpha virt. eigenvalues --    0.74450   0.74766   0.75456   0.75683   0.76286
 Alpha virt. eigenvalues --    0.76775   0.77804   0.78788   0.79298   0.79961
 Alpha virt. eigenvalues --    0.80830   0.82246   0.82698   0.83636   0.84096
 Alpha virt. eigenvalues --    0.85093   0.85706   0.87110   0.87681   0.88835
 Alpha virt. eigenvalues --    0.89457   0.90577   0.91605   0.92253   0.92956
 Alpha virt. eigenvalues --    0.93257   0.94003   0.96218   0.96858   0.97433
 Alpha virt. eigenvalues --    0.98088   0.99360   1.00038   1.00810   1.01591
 Alpha virt. eigenvalues --    1.02403   1.02998   1.03258   1.03748   1.04712
 Alpha virt. eigenvalues --    1.05240   1.05651   1.06156   1.06215   1.06347
 Alpha virt. eigenvalues --    1.07803   1.08555   1.09074   1.10120   1.11489
 Alpha virt. eigenvalues --    1.13331   1.15820   1.16212   1.16446   1.18366
 Alpha virt. eigenvalues --    1.19024   1.20394   1.20892   1.21395   1.22548
 Alpha virt. eigenvalues --    1.23289   1.23755   1.24472   1.25074   1.25660
 Alpha virt. eigenvalues --    1.26614   1.28254   1.28500   1.28738   1.31220
 Alpha virt. eigenvalues --    1.31986   1.33412   1.34878   1.35999   1.36923
 Alpha virt. eigenvalues --    1.37100   1.38797   1.40502   1.42682   1.43361
 Alpha virt. eigenvalues --    1.44004   1.45582   1.46496   1.48398   1.49049
 Alpha virt. eigenvalues --    1.50881   1.52628   1.54583   1.55363   1.57102
 Alpha virt. eigenvalues --    1.57498   1.59676   1.60174   1.60885   1.63205
 Alpha virt. eigenvalues --    1.64712   1.65357   1.66306   1.66980   1.68409
 Alpha virt. eigenvalues --    1.69645   1.71599   1.72073   1.73493   1.75063
 Alpha virt. eigenvalues --    1.75466   1.77457   1.78375   1.78744   1.79022
 Alpha virt. eigenvalues --    1.79433   1.81253   1.82027   1.82154   1.84330
 Alpha virt. eigenvalues --    1.85483   1.86030   1.87109   1.88582   1.89625
 Alpha virt. eigenvalues --    1.90147   1.90824   1.91875   1.92480   1.93251
 Alpha virt. eigenvalues --    1.94676   1.95343   1.95990   1.96178   1.96783
 Alpha virt. eigenvalues --    1.98508   1.98830   2.00789   2.01934   2.02323
 Alpha virt. eigenvalues --    2.03307   2.05139   2.05634   2.05900   2.06997
 Alpha virt. eigenvalues --    2.08160   2.09225   2.09970   2.11111   2.12271
 Alpha virt. eigenvalues --    2.12650   2.13907   2.14212   2.15472   2.16492
 Alpha virt. eigenvalues --    2.17603   2.18656   2.19573   2.21016   2.22747
 Alpha virt. eigenvalues --    2.22791   2.23585   2.23793   2.26073   2.27866
 Alpha virt. eigenvalues --    2.29177   2.30614   2.31258   2.33997   2.36570
 Alpha virt. eigenvalues --    2.37873   2.38440   2.39716   2.41589   2.43184
 Alpha virt. eigenvalues --    2.44194   2.45509   2.45722   2.46409   2.49553
 Alpha virt. eigenvalues --    2.50545   2.52692   2.53227   2.54874   2.56199
 Alpha virt. eigenvalues --    2.56534   2.60131   2.62149   2.63088   2.63287
 Alpha virt. eigenvalues --    2.66112   2.67043   2.68045   2.68299   2.69312
 Alpha virt. eigenvalues --    2.70649   2.71508   2.73172   2.74934   2.78605
 Alpha virt. eigenvalues --    2.85394   2.86407   2.87287   2.89455   2.92262
 Alpha virt. eigenvalues --    2.93296   2.94281   2.96218   2.99413   2.99922
 Alpha virt. eigenvalues --    3.00995   3.04644   3.05152   3.06111   3.07897
 Alpha virt. eigenvalues --    3.09080   3.10409   3.13029   3.13172   3.16138
 Alpha virt. eigenvalues --    3.17036   3.18762   3.20233   3.21076   3.23473
 Alpha virt. eigenvalues --    3.24171   3.24746   3.27863   3.37119   3.38793
 Alpha virt. eigenvalues --    3.62974   3.66710   3.82214   3.95012
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    9.875143  -1.988974  -1.761888   0.773225   0.192383   0.281093
     2  C   -1.988974  14.943374   0.777222  -0.807003   0.844929  -2.087741
     3  C   -1.761888   0.777222  10.246441  -2.161544  -0.034195   0.270649
     4  C    0.773225  -0.807003  -2.161544  14.454635  -2.138412   1.065861
     5  C    0.192383   0.844929  -0.034195  -2.138412  11.093050  -1.777842
     6  C    0.281093  -2.087741   0.270649   1.065861  -1.777842   9.946471
     7  C   -1.556302   0.749202   0.049510   0.172802   0.036114  -1.677408
     8  C   -0.077633   0.268697   0.016804  -0.002694   0.011642  -0.077715
     9  C   -0.042430  -0.088346   0.002187  -0.006880   0.000858   0.010897
    10  C    0.006389  -0.080174   0.000277  -0.005506   0.004281  -0.050006
    11  C    0.010561   0.161067  -1.109082   0.639261  -1.468610   0.025366
    12  C    0.004968   0.024497  -0.221150   0.027451  -0.141004  -0.007806
    13  O    0.009984  -0.003791   0.025099  -0.038549   0.024658   0.002694
    14  O    0.000856  -0.001738   0.001762  -0.000298   0.003320   0.001233
    15  H    0.785926  -2.194395  -1.065498   0.064662   0.194457   0.094796
    16  H   -0.769155  -0.043005   0.779542  -1.954310   0.098868   0.181541
    17  H    0.214516  -0.103763   0.147944  -2.243415   0.802462  -1.054239
    18  H    0.088657  -2.288286   0.181100  -0.003927  -1.181124   0.991187
    19  H    0.093645  -0.067177   0.007909  -0.001276   0.001891  -0.001666
    20  H    0.016983  -0.073645   0.003207   0.000947   0.007547   0.091817
    21  H    0.052038   0.051589  -0.002553  -0.000115  -0.002634   0.053821
    22  H    0.025067  -0.080574  -0.007734  -0.000961   0.000555   0.002493
    23  H    0.013283   0.035164   0.004486   0.001448   0.003212   0.001962
    24  H    0.001477   0.014282   0.001000   0.000301  -0.000576  -0.000769
    25  H   -0.003187   0.037715   0.002546   0.001750   0.006240   0.007697
    26  H    0.001427  -0.075783   0.000522  -0.000886  -0.007233   0.018838
    27  H    0.000177   0.013313  -0.000527   0.000319   0.000689   0.003005
    28  H    0.020732  -0.001077   0.113256  -0.287480  -0.089281   0.018694
    29  C   -0.016632   0.000419  -0.043540   0.053495  -0.030617   0.006018
    30  H   -0.000531  -0.000102  -0.001576   0.001645   0.000665  -0.000286
    31  H    0.010151   0.001196  -0.035354  -0.001848  -0.015033  -0.000349
    32  H   -0.001263   0.000571  -0.000681  -0.029786  -0.020120  -0.000087
    33  H   -0.000116  -0.001557   0.010755  -0.056479   0.060222  -0.004471
               7          8          9         10         11         12
     1  C   -1.556302  -0.077633  -0.042430   0.006389   0.010561   0.004968
     2  C    0.749202   0.268697  -0.088346  -0.080174   0.161067   0.024497
     3  C    0.049510   0.016804   0.002187   0.000277  -1.109082  -0.221150
     4  C    0.172802  -0.002694  -0.006880  -0.005506   0.639261   0.027451
     5  C    0.036114   0.011642   0.000858   0.004281  -1.468610  -0.141004
     6  C   -1.677408  -0.077715   0.010897  -0.050006   0.025366  -0.007806
     7  C    8.213371   0.044615   0.069499   0.076583  -0.004411  -0.000532
     8  C    0.044615   5.666046   0.310663   0.310543   0.000163  -0.000100
     9  C    0.069499   0.310663   4.248573  -0.016767  -0.000104   0.000064
    10  C    0.076583   0.310543  -0.016767   4.237964  -0.000198   0.000001
    11  C   -0.004411   0.000163  -0.000104  -0.000198   8.062490   0.403270
    12  C   -0.000532  -0.000100   0.000064   0.000001   0.403270   5.185465
    13  O   -0.000004   0.000007  -0.000017   0.000000  -0.117812   0.116786
    14  O    0.000083   0.000005  -0.000003   0.000004  -0.073144  -0.088003
    15  H   -0.658735  -0.061779  -0.025085   0.002491   0.006851   0.008280
    16  H    0.024325   0.003371  -0.000660  -0.000520  -0.421222  -0.050352
    17  H    0.030533   0.002534  -0.000584  -0.000520  -0.590224  -0.080054
    18  H   -0.715866  -0.055971   0.003497  -0.025551   0.027502   0.003968
    19  H    0.006919   0.062181  -0.001134   0.006654  -0.000159   0.000033
    20  H   -0.001310   0.064889   0.007896   0.001833  -0.000163   0.000061
    21  H   -0.242739   0.242018  -0.063410  -0.065197  -0.000001  -0.000000
    22  H   -0.107992   0.098360   0.272973   0.006382  -0.000005   0.000006
    23  H   -0.111749   0.166722   0.074444  -0.013724  -0.000024  -0.000012
    24  H    0.051042   0.186998   0.086954  -0.016216   0.000019  -0.000003
    25  H   -0.101998   0.162798  -0.014532   0.082999   0.000023  -0.000007
    26  H   -0.100152   0.092400   0.007039   0.276870  -0.000009  -0.000001
    27  H    0.045643   0.193401  -0.016684   0.087118   0.000009   0.000001
    28  H    0.000002  -0.000013   0.000022  -0.000039   0.120823  -0.199836
    29  C   -0.000142   0.000030  -0.000072   0.000026   0.266772   0.019549
    30  H   -0.000001   0.000000  -0.000000  -0.000000   0.024438   0.138020
    31  H   -0.000045   0.000004   0.000013  -0.000002   0.135208  -0.000300
    32  H   -0.000004   0.000002   0.000001  -0.000001   0.220641  -0.018103
    33  H    0.000036  -0.000016   0.000006   0.000001   0.113623   0.012092
              13         14         15         16         17         18
     1  C    0.009984   0.000856   0.785926  -0.769155   0.214516   0.088657
     2  C   -0.003791  -0.001738  -2.194395  -0.043005  -0.103763  -2.288286
     3  C    0.025099   0.001762  -1.065498   0.779542   0.147944   0.181100
     4  C   -0.038549  -0.000298   0.064662  -1.954310  -2.243415  -0.003927
     5  C    0.024658   0.003320   0.194457   0.098868   0.802462  -1.181124
     6  C    0.002694   0.001233   0.094796   0.181541  -1.054239   0.991187
     7  C   -0.000004   0.000083  -0.658735   0.024325   0.030533  -0.715866
     8  C    0.000007   0.000005  -0.061779   0.003371   0.002534  -0.055971
     9  C   -0.000017  -0.000003  -0.025085  -0.000660  -0.000584   0.003497
    10  C    0.000000   0.000004   0.002491  -0.000520  -0.000520  -0.025551
    11  C   -0.117812  -0.073144   0.006851  -0.421222  -0.590224   0.027502
    12  C    0.116786  -0.088003   0.008280  -0.050352  -0.080054   0.003968
    13  O    8.429080   0.034643  -0.000900   0.022642   0.008982  -0.000285
    14  O    0.034643   8.391079  -0.000257   0.000084  -0.006852   0.000137
    15  H   -0.000900  -0.000257   4.341599  -1.056084  -0.031179   0.100012
    16  H    0.022642   0.000084  -1.056084   3.591832   0.077180  -0.027805
    17  H    0.008982  -0.006852  -0.031179   0.077180   4.324175  -1.296102
    18  H   -0.000285   0.000137   0.100012  -0.027805  -1.296102   4.599971
    19  H   -0.000005  -0.000007   0.020287  -0.000282  -0.000081   0.003216
    20  H   -0.000007  -0.000001  -0.006304   0.000666   0.000172   0.015229
    21  H    0.000000  -0.000000   0.013686  -0.000121  -0.000138   0.014234
    22  H   -0.000001  -0.000000   0.004318  -0.001175  -0.000010   0.000957
    23  H    0.000009   0.000005   0.011047   0.001411  -0.000211   0.002335
    24  H    0.000001   0.000000  -0.003121   0.000072   0.000002   0.000055
    25  H    0.000002   0.000006   0.000566  -0.000088   0.001941   0.010118
    26  H    0.000000   0.000000   0.000849  -0.000009  -0.001077   0.005522
    27  H   -0.000000  -0.000000   0.000275  -0.000005   0.000072  -0.003357
    28  H    0.006064  -0.078229  -0.000509   0.021616   0.015495  -0.000780
    29  C    0.007935   0.030002  -0.000397   0.015233  -0.046151   0.001325
    30  H   -0.056670   0.116855   0.000007   0.000274   0.000427  -0.000015
    31  H    0.010825  -0.000953   0.001488  -0.020251  -0.004078   0.000269
    32  H   -0.003169   0.006794  -0.000070   0.005901  -0.007637   0.000070
    33  H    0.007532  -0.001674   0.000177  -0.008509   0.026357  -0.001087
              19         20         21         22         23         24
     1  C    0.093645   0.016983   0.052038   0.025067   0.013283   0.001477
     2  C   -0.067177  -0.073645   0.051589  -0.080574   0.035164   0.014282
     3  C    0.007909   0.003207  -0.002553  -0.007734   0.004486   0.001000
     4  C   -0.001276   0.000947  -0.000115  -0.000961   0.001448   0.000301
     5  C    0.001891   0.007547  -0.002634   0.000555   0.003212  -0.000576
     6  C   -0.001666   0.091817   0.053821   0.002493   0.001962  -0.000769
     7  C    0.006919  -0.001310  -0.242739  -0.107992  -0.111749   0.051042
     8  C    0.062181   0.064889   0.242018   0.098360   0.166722   0.186998
     9  C   -0.001134   0.007896  -0.063410   0.272973   0.074444   0.086954
    10  C    0.006654   0.001833  -0.065197   0.006382  -0.013724  -0.016216
    11  C   -0.000159  -0.000163  -0.000001  -0.000005  -0.000024   0.000019
    12  C    0.000033   0.000061  -0.000000   0.000006  -0.000012  -0.000003
    13  O   -0.000005  -0.000007   0.000000  -0.000001   0.000009   0.000001
    14  O   -0.000007  -0.000001  -0.000000  -0.000000   0.000005   0.000000
    15  H    0.020287  -0.006304   0.013686   0.004318   0.011047  -0.003121
    16  H   -0.000282   0.000666  -0.000121  -0.001175   0.001411   0.000072
    17  H   -0.000081   0.000172  -0.000138  -0.000010  -0.000211   0.000002
    18  H    0.003216   0.015229   0.014234   0.000957   0.002335   0.000055
    19  H    1.136435  -0.314234  -0.019300  -0.011628   0.009211   0.000604
    20  H   -0.314234   1.136532  -0.019122   0.049771  -0.021087  -0.005168
    21  H   -0.019300  -0.019122   1.447403  -0.021841   0.011849   0.024732
    22  H   -0.011628   0.049771  -0.021841   1.043146   0.020477  -0.226518
    23  H    0.009211  -0.021087   0.011849   0.020477   0.873648  -0.131474
    24  H    0.000604  -0.005168   0.024732  -0.226518  -0.131474   1.269529
    25  H   -0.020433   0.009705   0.011397  -0.002777   0.041087  -0.028675
    26  H    0.049753  -0.010538  -0.023086  -0.005520  -0.002966   0.009118
    27  H   -0.005033  -0.000129   0.026345   0.008697  -0.029198   0.010315
    28  H   -0.000011   0.000007   0.000000   0.000001   0.000010  -0.000000
    29  C    0.000006  -0.000014  -0.000000  -0.000007   0.000044   0.000000
    30  H    0.000000  -0.000000   0.000000   0.000000  -0.000000  -0.000000
    31  H   -0.000001   0.000000   0.000000   0.000002  -0.000001  -0.000001
    32  H   -0.000000   0.000000   0.000000  -0.000000  -0.000000  -0.000000
    33  H   -0.000000   0.000002  -0.000000  -0.000000   0.000018   0.000000
              25         26         27         28         29         30
     1  C   -0.003187   0.001427   0.000177   0.020732  -0.016632  -0.000531
     2  C    0.037715  -0.075783   0.013313  -0.001077   0.000419  -0.000102
     3  C    0.002546   0.000522  -0.000527   0.113256  -0.043540  -0.001576
     4  C    0.001750  -0.000886   0.000319  -0.287480   0.053495   0.001645
     5  C    0.006240  -0.007233   0.000689  -0.089281  -0.030617   0.000665
     6  C    0.007697   0.018838   0.003005   0.018694   0.006018  -0.000286
     7  C   -0.101998  -0.100152   0.045643   0.000002  -0.000142  -0.000001
     8  C    0.162798   0.092400   0.193401  -0.000013   0.000030   0.000000
     9  C   -0.014532   0.007039  -0.016684   0.000022  -0.000072  -0.000000
    10  C    0.082999   0.276870   0.087118  -0.000039   0.000026  -0.000000
    11  C    0.000023  -0.000009   0.000009   0.120823   0.266772   0.024438
    12  C   -0.000007  -0.000001   0.000001  -0.199836   0.019549   0.138020
    13  O    0.000002   0.000000  -0.000000   0.006064   0.007935  -0.056670
    14  O    0.000006   0.000000  -0.000000  -0.078229   0.030002   0.116855
    15  H    0.000566   0.000849   0.000275  -0.000509  -0.000397   0.000007
    16  H   -0.000088  -0.000009  -0.000005   0.021616   0.015233   0.000274
    17  H    0.001941  -0.001077   0.000072   0.015495  -0.046151   0.000427
    18  H    0.010118   0.005522  -0.003357  -0.000780   0.001325  -0.000015
    19  H   -0.020433   0.049753  -0.005033  -0.000011   0.000006   0.000000
    20  H    0.009705  -0.010538  -0.000129   0.000007  -0.000014  -0.000000
    21  H    0.011397  -0.023086   0.026345   0.000000  -0.000000   0.000000
    22  H   -0.002777  -0.005520   0.008697   0.000001  -0.000007   0.000000
    23  H    0.041087  -0.002966  -0.029198   0.000010   0.000044  -0.000000
    24  H   -0.028675   0.009118   0.010315  -0.000000   0.000000  -0.000000
    25  H    0.870845   0.015907  -0.124944   0.000015   0.000010  -0.000000
    26  H    0.015907   1.036967  -0.213938  -0.000001   0.000000   0.000000
    27  H   -0.124944  -0.213938   1.233203   0.000000  -0.000001   0.000000
    28  H    0.000015  -0.000001   0.000000   1.577229  -0.264615  -0.004745
    29  C    0.000010   0.000000  -0.000001  -0.264615   4.217447   0.001293
    30  H   -0.000000   0.000000   0.000000  -0.004745   0.001293   0.634189
    31  H   -0.000002   0.000000  -0.000000  -0.008874   0.243727  -0.000045
    32  H   -0.000000  -0.000000  -0.000000   0.019985   0.143735  -0.000161
    33  H    0.000054  -0.000000  -0.000000   0.026422   0.103913  -0.000209
              31         32         33
     1  C    0.010151  -0.001263  -0.000116
     2  C    0.001196   0.000571  -0.001557
     3  C   -0.035354  -0.000681   0.010755
     4  C   -0.001848  -0.029786  -0.056479
     5  C   -0.015033  -0.020120   0.060222
     6  C   -0.000349  -0.000087  -0.004471
     7  C   -0.000045  -0.000004   0.000036
     8  C    0.000004   0.000002  -0.000016
     9  C    0.000013   0.000001   0.000006
    10  C   -0.000002  -0.000001   0.000001
    11  C    0.135208   0.220641   0.113623
    12  C   -0.000300  -0.018103   0.012092
    13  O    0.010825  -0.003169   0.007532
    14  O   -0.000953   0.006794  -0.001674
    15  H    0.001488  -0.000070   0.000177
    16  H   -0.020251   0.005901  -0.008509
    17  H   -0.004078  -0.007637   0.026357
    18  H    0.000269   0.000070  -0.001087
    19  H   -0.000001  -0.000000  -0.000000
    20  H    0.000000   0.000000   0.000002
    21  H    0.000000   0.000000  -0.000000
    22  H    0.000002  -0.000000  -0.000000
    23  H   -0.000001  -0.000000   0.000018
    24  H   -0.000001  -0.000000   0.000000
    25  H   -0.000002  -0.000000   0.000054
    26  H    0.000000  -0.000000  -0.000000
    27  H   -0.000000  -0.000000  -0.000000
    28  H   -0.008874   0.019985   0.026422
    29  C    0.243727   0.143735   0.103913
    30  H   -0.000045  -0.000161  -0.000209
    31  H    0.725101   0.008792  -0.009376
    32  H    0.008792   0.790175  -0.095490
    33  H   -0.009376  -0.095490   0.910525
 Mulliken charges:
               1
     1  C   -0.260569
     2  C   -1.936106
     3  C   -0.196896
     4  C   -1.516432
     5  C   -0.481361
     6  C   -0.335746
     7  C    1.709111
     8  C   -1.628974
     9  C    1.181119
    10  C    1.174006
    11  C   -0.432920
    12  C    0.862753
    13  O   -0.485735
    14  O   -0.335708
    15  H    0.452539
    16  H    0.528993
    17  H    0.813522
    18  H    0.550797
    19  H    0.043681
    20  H    0.044459
    21  H   -0.488853
    22  H   -0.066462
    23  H    0.038577
    24  H   -0.243981
    25  H    0.033222
    26  H   -0.074014
    27  H   -0.228767
    28  H   -0.004884
    29  C    1.291206
    30  H    0.146529
    31  H   -0.040263
    32  H   -0.020092
    33  H   -0.092751
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.191970
     2  C   -1.936106
     3  C    0.332097
     4  C   -1.516432
     5  C    0.332161
     6  C    0.215051
     7  C    1.797250
     8  C   -2.117827
     9  C    0.909254
    10  C    0.904446
    11  C   -0.437803
    12  C    0.862753
    13  O   -0.485735
    14  O   -0.189179
    29  C    1.138099
 Electronic spatial extent (au):  <R**2>=           4410.4855
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.2258    Y=             -1.2764    Z=              0.4323  Tot=              1.8217
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -90.6105   YY=            -94.1755   ZZ=            -90.1658
   XY=             -5.6494   XZ=              2.5183   YZ=              0.2366
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              1.0401   YY=             -2.5249   ZZ=              1.4848
   XY=             -5.6494   XZ=              2.5183   YZ=              0.2366
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             19.3572  YYY=             -4.9545  ZZZ=            -11.3273  XYY=             -3.5095
  XXY=            -33.0957  XXZ=             -9.2952  XZZ=             23.4728  YZZ=             -2.7888
  YYZ=              0.9469  XYZ=             11.4287
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -4603.6963 YYYY=           -668.7414 ZZZZ=           -592.3952 XXXY=           -155.2382
 XXXZ=            -62.7625 YYYX=              7.7626 YYYZ=             -9.9210 ZZZX=            -38.2801
 ZZZY=              6.4403 XXYY=           -943.6989 XXZZ=           -819.8303 YYZZ=           -207.0380
 XXYZ=             63.9764 YYXZ=              1.3634 ZZXY=            -33.3588
 N-N= 9.812879454708D+02 E-N=-3.485331594023D+03  KE= 6.490947656678D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Wed Sep  8 13:49:51 2021, MaxMem=  6442450944 cpu:               4.5 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-4.50097753D-01-5.00508118D-01 1.46420811D-01
 Polarizability= 2.00170733D+02 5.59379819D+00 1.44712840D+02
                 7.08171403D+00-8.33210072D+00 1.30555475D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -3.9121   -3.9119        3.1635    3.1618
 2      3.9121    3.9119        4.3341    4.3311      -31.3010  -31.3100
 3     -3.1635   -3.1618       38.7211   38.7260       -4.3342   -4.3311
 4     -4.3341   -4.3311        0.0000    0.0000       -3.1611   -3.1618
 5     -7.4201   -7.4160        3.1611    3.1618       -3.9095   -3.9119
 6      4.3342    4.3311        3.9095    3.9119        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       11.7357   11.7357        9.4853    9.4853
 2    -12.9934  -12.9934       -0.0000    0.0000        9.4853    9.4853
 3    -12.9934  -12.9934       11.7357   11.7357        0.0000    0.0000
 4     11.7357   11.7357       12.9934   12.9934      -93.9301  -93.9301
 5     -9.4853   -9.4853      116.1780  116.1780      -12.9934  -12.9934
 6    -22.2479  -22.2479        9.4853    9.4853      -11.7357  -11.7357
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0073    0.0000       16.0649   15.6476      -12.6464  -12.6471
 2    -15.6641  -15.6476      -17.4463  -17.3245      125.2262  125.2402
 3     12.6493   12.6471     -155.1265 -154.9040       17.3350   17.3245
 4     17.2287   17.3245        0.0992    0.0000       12.5213   12.6471
 5     29.6113   29.6638      -12.6104  -12.6471       15.5272   15.6476
 6    -17.2826  -17.3245      -15.5279  -15.6476       -0.0835    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1525    0.0000      -36.8383  -36.8434        7.9318    7.8970
 2     36.6623   36.8434        0.2710    0.5752       -5.3368   -5.5904
 3     -7.7284   -7.8970      -51.6326  -51.5058       -0.7149   -0.5752
 4     -0.6282   -0.5752       -0.1054    0.0000       -7.8132   -7.8970
 5     57.1729   57.0963        7.7279    7.8970      -36.5310  -36.8434
 6      0.5993    0.5752       36.9724   36.8434       -0.0392    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -26.9049  -26.9502       -2.0761   -2.2753      -10.9218  -10.9010
 2    -14.6421  -14.6702      -18.7928  -18.8160      -10.7279  -10.9010
 3    -14.6347  -14.6702       -2.2696   -2.2753      -44.1168  -44.2750
 4     16.4168   16.5407      -12.0853  -12.2800      -37.4675  -37.3466
 5    -33.2675  -33.3740      -53.7710  -53.7186       12.1617   12.2800
 6     91.1641   91.0652       33.2520   33.3740      -16.1908  -16.5407
 Full mass-weighted force constant matrix:
 Low frequencies ---   -1.4258   -0.0005   -0.0002    0.0009    3.0505    6.3961
 Low frequencies ---   24.3732   38.9708   49.6399
 Diagonal vibrational polarizability:
       39.0913618      10.5427820      24.2879651
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     24.3636                38.9700                49.6342
 Red. masses --      4.0405                 7.6098                 3.6306
 Frc consts  --      0.0014                 0.0068                 0.0053
 IR Inten    --      0.1630                 1.5795                 0.2838
 RamAct Fr= 1--      0.4682                 1.1315                 2.1551
  Dep-P Fr= 1--      0.7259                 0.7482                 0.7278
  Dep-U Fr= 1--      0.8412                 0.8560                 0.8425
 Alpha2 Fr= 1--      0.0002                 0.0000                 0.0008
 Beta2  Fr= 1--      0.0656                 0.1614                 0.3026
 AlphaG Fr= 1--     -0.0006                 0.0011                 0.0015
 Gamma2 Fr= 1--     -0.2013                -0.8664                 0.8605
 Delta2 Fr= 1--     -0.1756                -0.2806                -0.2723
 Raman1 Fr= 1--       1.873                  4.526                  8.620
 ROA1   Fr= 1--     -24.941                -92.153                 73.895
 CID1   Fr= 1--     -13.317                -20.362                  8.572
 Raman2 Fr= 1--       0.788                  1.937                  3.631
 ROA2   Fr= 1--      -3.426                -18.549                 22.831
 CID2   Fr= 1--      -4.349                 -9.576                  6.287
 Raman3 Fr= 1--       1.575                  3.874                  7.262
 ROA3   Fr= 1--     -24.941                -92.153                 73.895
 CID3   Fr= 1--     -15.831                -23.787                 10.175
 RC180  Fr= 1--       0.682                  0.712                  0.685
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.10  -0.03    -0.02  -0.02  -0.06     0.03  -0.09  -0.17
     2   6    -0.01  -0.08   0.02    -0.03  -0.00  -0.05    -0.01  -0.02  -0.05
     3   6     0.01  -0.10  -0.05    -0.01  -0.04  -0.08     0.03  -0.09  -0.18
     4   6     0.00  -0.08  -0.02    -0.02  -0.05  -0.08    -0.01  -0.01  -0.06
     5   6    -0.01  -0.06   0.03    -0.03  -0.04  -0.09    -0.05   0.05   0.05
     6   6    -0.02  -0.05   0.05    -0.04  -0.02  -0.08    -0.05   0.04   0.06
     7   6    -0.02  -0.07   0.05    -0.05   0.05   0.00    -0.03   0.02  -0.00
     8   6     0.01   0.05   0.01     0.01   0.06   0.07     0.02   0.03   0.05
     9   6     0.04   0.06  -0.16     0.08   0.05   0.11     0.17  -0.00   0.18
    10   6     0.04   0.19   0.08     0.03   0.02   0.05    -0.06  -0.08  -0.02
    11   6     0.00  -0.07  -0.02    -0.04  -0.05  -0.03    -0.03   0.03  -0.01
    12   6    -0.00   0.08  -0.01     0.01   0.01   0.02     0.02   0.02   0.03
    13   8    -0.03   0.14   0.10    -0.28   0.04  -0.16     0.12   0.02   0.11
    14   8     0.03   0.14  -0.13     0.43   0.01   0.29    -0.04   0.03  -0.02
    15   1     0.01  -0.12  -0.06    -0.01  -0.00  -0.05     0.06  -0.14  -0.25
    16   1     0.02  -0.12  -0.08     0.00  -0.05  -0.08     0.06  -0.13  -0.26
    17   1    -0.01  -0.04   0.06    -0.04  -0.05  -0.09    -0.08   0.10   0.14
    18   1    -0.03  -0.03   0.10    -0.05  -0.01  -0.07    -0.08   0.09   0.15
    19   1    -0.06  -0.08   0.15    -0.10   0.06  -0.01    -0.07   0.03  -0.01
    20   1    -0.02  -0.16   0.01    -0.08   0.08   0.02    -0.05   0.04   0.01
    21   1    -0.00   0.01   0.05    -0.02   0.12   0.10     0.01   0.17   0.02
    22   1     0.02  -0.04  -0.21     0.06   0.08   0.13     0.23   0.08   0.23
    23   1     0.05   0.10  -0.20     0.11  -0.01   0.08     0.19  -0.15   0.21
    24   1     0.06   0.14  -0.19     0.12   0.06   0.15     0.21   0.02   0.22
    25   1     0.06   0.24   0.04     0.06  -0.03   0.02    -0.06  -0.22   0.01
    26   1     0.02   0.19   0.21    -0.01   0.03   0.02    -0.17  -0.06  -0.11
    27   1     0.07   0.27   0.06     0.07   0.04   0.09    -0.03  -0.06   0.01
    28   1     0.05  -0.11  -0.11    -0.04  -0.05  -0.03    -0.03   0.04   0.01
    29   6    -0.05  -0.15   0.08    -0.10  -0.05  -0.01    -0.11   0.05  -0.03
    30   1     0.03   0.24  -0.12     0.43   0.03   0.30     0.01   0.03   0.02
    31   1    -0.11  -0.12   0.17    -0.08  -0.05  -0.01    -0.12   0.03  -0.05
    32   1    -0.05  -0.13   0.08    -0.12  -0.05   0.06    -0.13   0.09   0.01
    33   1    -0.04  -0.26   0.08    -0.15  -0.07  -0.05    -0.14   0.04  -0.05
                      4                      5                      6
                      A                      A                      A
 Frequencies --     56.3903                86.2246               102.5193
 Red. masses --      3.8167                 3.6635                 3.9609
 Frc consts  --      0.0072                 0.0160                 0.0245
 IR Inten    --      0.4883                 0.0549                 0.1244
 RamAct Fr= 1--      1.1142                 1.9969                 3.1265
  Dep-P Fr= 1--      0.7149                 0.6938                 0.6836
  Dep-U Fr= 1--      0.8338                 0.8192                 0.8121
 Alpha2 Fr= 1--      0.0007                 0.0020                 0.0037
 Beta2  Fr= 1--      0.1548                 0.2726                 0.4232
 AlphaG Fr= 1--      0.0012                -0.0019                 0.0027
 Gamma2 Fr= 1--     -0.1427                -0.9706                 0.8635
 Delta2 Fr= 1--      0.2140                -0.1206                 0.4670
 Raman1 Fr= 1--       4.457                  7.988                 12.506
 ROA1   Fr= 1--      -6.850                -97.036                 97.838
 CID1   Fr= 1--      -1.537                -12.148                  7.823
 Raman2 Fr= 1--       1.858                  3.272                  5.078
 ROA2   Fr= 1--      -5.137                -22.330                 16.987
 CID2   Fr= 1--      -2.765                 -6.825                  3.345
 Raman3 Fr= 1--       3.716                  6.543                 10.156
 ROA3   Fr= 1--      -6.850                -97.036                 97.838
 CID3   Fr= 1--      -1.843                -14.829                  9.634
 RC180  Fr= 1--       0.668                  0.638                  0.624
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.01  -0.02    -0.02  -0.03   0.06     0.08  -0.01  -0.12
     2   6    -0.02  -0.03  -0.08     0.03  -0.09  -0.02     0.04   0.03  -0.09
     3   6    -0.05   0.03  -0.01    -0.05   0.01   0.11     0.05  -0.01  -0.04
     4   6    -0.03  -0.00  -0.06    -0.02  -0.01   0.07    -0.03   0.03   0.07
     5   6     0.01  -0.06  -0.15     0.04  -0.08  -0.03    -0.07   0.08   0.11
     6   6     0.02  -0.07  -0.17     0.05  -0.11  -0.07    -0.04   0.07   0.03
     7   6    -0.04  -0.01  -0.00     0.03  -0.06  -0.01     0.05   0.05  -0.09
     8   6     0.04  -0.01   0.09     0.09   0.06  -0.03     0.08  -0.04   0.01
     9   6    -0.02   0.01  -0.01     0.28   0.03   0.02     0.01  -0.03   0.01
    10   6     0.23   0.06   0.14    -0.03   0.04  -0.05     0.26  -0.05   0.01
    11   6    -0.06   0.04   0.01    -0.02   0.04   0.05    -0.03  -0.02   0.07
    12   6     0.01  -0.01   0.06    -0.09   0.02  -0.01    -0.11  -0.01   0.01
    13   8     0.13  -0.04   0.11    -0.14   0.02  -0.06    -0.19  -0.00  -0.05
    14   8    -0.07  -0.03   0.06    -0.13   0.01  -0.01    -0.12  -0.01  -0.01
    15   1    -0.07   0.04   0.03    -0.04  -0.01   0.10     0.14  -0.05  -0.19
    16   1    -0.08   0.07   0.05    -0.08   0.06   0.18     0.10  -0.06  -0.07
    17   1     0.04  -0.08  -0.20     0.07  -0.10  -0.08    -0.13   0.11   0.19
    18   1     0.05  -0.10  -0.22     0.09  -0.16  -0.14    -0.08   0.11   0.05
    19   1    -0.06  -0.00   0.01    -0.04  -0.05   0.06     0.05   0.06  -0.17
    20   1    -0.11   0.01   0.01     0.04  -0.11  -0.04     0.02   0.14  -0.05
    21   1    -0.01  -0.08   0.21     0.08   0.20  -0.05     0.05  -0.10   0.10
    22   1    -0.16  -0.04  -0.04     0.43   0.06   0.03    -0.16  -0.02   0.01
    23   1     0.03   0.08  -0.13     0.27  -0.11   0.10     0.06   0.02  -0.12
    24   1     0.03   0.00   0.06     0.29   0.13  -0.03     0.06  -0.09   0.12
    25   1     0.29   0.15   0.02    -0.00  -0.13  -0.05     0.28   0.07  -0.04
    26   1     0.29   0.05   0.22    -0.21   0.07  -0.08     0.39  -0.08   0.02
    27   1     0.28   0.05   0.20     0.04   0.15  -0.03     0.25  -0.16   0.06
    28   1    -0.08   0.07   0.07     0.02   0.07   0.08    -0.03  -0.04   0.03
    29   6    -0.13   0.09  -0.03    -0.01   0.09  -0.00     0.04  -0.05   0.09
    30   1    -0.01  -0.07   0.09    -0.19  -0.00  -0.06    -0.20  -0.00  -0.07
    31   1    -0.10   0.07  -0.09    -0.05   0.06  -0.03     0.03  -0.03   0.13
    32   1    -0.15   0.11   0.02     0.00   0.13  -0.04     0.05  -0.08   0.05
    33   1    -0.18   0.12  -0.07     0.02   0.11   0.03     0.07  -0.06   0.12
                      7                      8                      9
                      A                      A                      A
 Frequencies --    173.0545               210.6918               224.3845
 Red. masses --      3.2369                 2.9850                 1.1698
 Frc consts  --      0.0571                 0.0781                 0.0347
 IR Inten    --      0.1072                 0.3234                 0.2397
 RamAct Fr= 1--      0.4794                 0.2569                 0.3269
  Dep-P Fr= 1--      0.7191                 0.2980                 0.2148
  Dep-U Fr= 1--      0.8366                 0.4592                 0.3537
 Alpha2 Fr= 1--      0.0003                 0.0027                 0.0043
 Beta2  Fr= 1--      0.0668                 0.0197                 0.0193
 AlphaG Fr= 1--     -0.0018                -0.0052                 0.0005
 Gamma2 Fr= 1--      0.8777                -0.0565                 0.3354
 Delta2 Fr= 1--      0.3871                 0.0864                 0.1908
 Raman1 Fr= 1--       1.918                  1.028                  1.308
 ROA1   Fr= 1--      96.642                 -2.655                 38.302
 CID1   Fr= 1--      50.398                 -2.583                 29.294
 Raman2 Fr= 1--       0.802                  0.236                  0.231
 ROA2   Fr= 1--      17.967                 -2.047                  6.523
 CID2   Fr= 1--      22.399                 -8.674                 28.210
 Raman3 Fr= 1--       1.604                  0.472                  0.462
 ROA3   Fr= 1--      96.642                 -2.655                 38.302
 CID3   Fr= 1--      60.241                 -5.625                 82.826
 RC180  Fr= 1--       0.673                 -0.082                 -0.293
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.04  -0.05     0.07  -0.00  -0.09    -0.02   0.01   0.04
     2   6    -0.05  -0.01  -0.05     0.06   0.02  -0.01    -0.01   0.00   0.02
     3   6    -0.11   0.13  -0.02     0.09   0.01  -0.11    -0.01   0.00   0.03
     4   6    -0.06   0.15  -0.02     0.07   0.04  -0.06    -0.01  -0.01   0.00
     5   6    -0.03   0.13  -0.01     0.11   0.01  -0.10    -0.02   0.00   0.03
     6   6    -0.01   0.04  -0.02     0.10   0.00  -0.07    -0.02   0.01   0.04
     7   6    -0.06  -0.12  -0.00     0.03  -0.02   0.08     0.01  -0.00  -0.01
     8   6     0.00  -0.05   0.01    -0.02  -0.01   0.04     0.01  -0.00  -0.01
     9   6     0.13  -0.06  -0.04    -0.07  -0.00   0.01     0.03  -0.01  -0.01
    10   6     0.00  -0.01   0.04    -0.12   0.03   0.06     0.03  -0.01  -0.02
    11   6    -0.04   0.02  -0.04     0.02   0.03   0.05    -0.01  -0.02  -0.01
    12   6     0.01  -0.00  -0.01    -0.02   0.01   0.03     0.00  -0.01  -0.01
    13   8     0.07  -0.02   0.01    -0.06  -0.01  -0.06    -0.00   0.00   0.01
    14   8     0.03  -0.02   0.04    -0.11  -0.02   0.05     0.02   0.01  -0.03
    15   1    -0.14   0.01  -0.06     0.06  -0.02  -0.10    -0.02   0.02   0.05
    16   1    -0.16   0.16  -0.03     0.09  -0.00  -0.14    -0.01   0.01   0.03
    17   1     0.00   0.15   0.00     0.13   0.01  -0.12    -0.02   0.00   0.03
    18   1     0.03   0.02  -0.00     0.11  -0.01  -0.07    -0.03   0.02   0.04
    19   1    -0.03  -0.15   0.12     0.06  -0.03   0.14     0.01   0.00  -0.02
    20   1    -0.13  -0.22  -0.04    -0.03  -0.07   0.06     0.03   0.01  -0.01
    21   1    -0.03   0.00   0.05     0.02  -0.04  -0.01     0.01   0.00  -0.00
    22   1     0.21  -0.10  -0.05     0.04  -0.04  -0.00     0.02  -0.00  -0.01
    23   1     0.13  -0.13  -0.01    -0.14   0.04   0.12     0.04  -0.02  -0.03
    24   1     0.15   0.03  -0.08    -0.16   0.00  -0.11     0.04   0.00   0.00
    25   1     0.06  -0.11  -0.03    -0.14  -0.01   0.11     0.03   0.01  -0.02
    26   1    -0.14   0.01   0.08    -0.19   0.04   0.09     0.06  -0.02  -0.02
    27   1     0.10   0.12   0.08    -0.13   0.10   0.01     0.03  -0.04  -0.01
    28   1    -0.13  -0.05  -0.13    -0.02   0.00   0.01    -0.01  -0.01   0.00
    29   6     0.15  -0.13   0.10    -0.04  -0.04   0.14    -0.03   0.01  -0.04
    30   1     0.09  -0.05   0.08    -0.21  -0.08  -0.04     0.02   0.04  -0.03
    31   1     0.30  -0.03   0.23     0.29   0.02   0.13     0.50   0.02  -0.21
    32   1     0.16  -0.35   0.09    -0.15  -0.26   0.44    -0.19  -0.30   0.39
    33   1     0.15  -0.12   0.10    -0.29   0.05  -0.07    -0.42   0.31  -0.33
                     10                     11                     12
                      A                      A                      A
 Frequencies --    239.9932               247.0869               267.3892
 Red. masses --      2.3220                 1.2055                 1.0597
 Frc consts  --      0.0788                 0.0434                 0.0446
 IR Inten    --      0.4739                 0.3846                 0.2657
 RamAct Fr= 1--      1.9857                 0.3649                 0.5081
  Dep-P Fr= 1--      0.2548                 0.5035                 0.2064
  Dep-U Fr= 1--      0.4062                 0.6697                 0.3422
 Alpha2 Fr= 1--      0.0232                 0.0018                 0.0068
 Beta2  Fr= 1--      0.1344                 0.0407                 0.0290
 AlphaG Fr= 1--      0.0175                -0.0123                 0.0000
 Gamma2 Fr= 1--     -1.0816                 0.0392                 0.0166
 Delta2 Fr= 1--     -0.3680                 0.1914                -0.0032
 Raman1 Fr= 1--       7.943                  1.459                  2.032
 ROA1   Fr= 1--    -115.606                  9.888                  1.488
 CID1   Fr= 1--     -14.555                  6.775                  0.732
 Raman2 Fr= 1--       1.613                  0.489                  0.348
 ROA2   Fr= 1--     -23.014                 -0.591                  0.423
 CID2   Fr= 1--     -14.268                 -1.209                  1.217
 Raman3 Fr= 1--       3.226                  0.977                  0.695
 ROA3   Fr= 1--    -115.606                  9.888                  1.488
 CID3   Fr= 1--     -35.836                 10.116                  2.140
 RC180  Fr= 1--      -0.188                  0.339                 -0.316
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.09  -0.07    -0.02   0.01   0.02    -0.00  -0.00  -0.01
     2   6    -0.02  -0.07  -0.06     0.00  -0.00   0.02     0.00  -0.01  -0.02
     3   6    -0.01  -0.05  -0.01    -0.01   0.02   0.00    -0.01   0.00  -0.00
     4   6    -0.01   0.00   0.05     0.01   0.01  -0.02    -0.01   0.00   0.00
     5   6    -0.01  -0.04  -0.02     0.02   0.01  -0.01    -0.01   0.00  -0.00
     6   6     0.01  -0.07  -0.07     0.01   0.00   0.02    -0.01  -0.00  -0.01
     7   6    -0.05   0.02  -0.01     0.01  -0.01   0.01     0.00  -0.01  -0.00
     8   6    -0.03   0.04   0.01     0.01   0.00  -0.01     0.01  -0.00   0.00
     9   6    -0.05   0.04   0.04     0.05  -0.00  -0.01     0.01  -0.01   0.02
    10   6    -0.06   0.03   0.00    -0.03   0.00  -0.01     0.01   0.02   0.01
    11   6     0.01   0.02   0.05    -0.00   0.01  -0.02    -0.01  -0.01  -0.00
    12   6    -0.01   0.01   0.03     0.01   0.01  -0.01    -0.01  -0.01   0.00
    13   8    -0.02   0.03   0.07     0.02  -0.01  -0.04    -0.01   0.00   0.02
    14   8     0.01   0.03   0.01    -0.01  -0.01   0.01     0.01   0.00  -0.00
    15   1     0.02  -0.11  -0.10    -0.03   0.00   0.02    -0.01  -0.00  -0.01
    16   1    -0.03  -0.04  -0.02    -0.02   0.03   0.00    -0.01   0.00   0.00
    17   1    -0.01  -0.04  -0.02     0.04   0.01  -0.02    -0.01   0.00   0.00
    18   1     0.03  -0.09  -0.08     0.02   0.00   0.03    -0.01  -0.00  -0.01
    19   1    -0.11   0.04  -0.04     0.01  -0.01   0.02    -0.00  -0.01   0.00
    20   1    -0.04   0.05   0.00     0.02  -0.03   0.00    -0.01  -0.01  -0.00
    21   1    -0.03   0.05   0.00     0.01   0.02  -0.02     0.02  -0.01  -0.01
    22   1    -0.36   0.10   0.07    -0.29   0.04   0.01     0.42  -0.03   0.01
    23   1     0.08   0.06  -0.21     0.23  -0.03  -0.32    -0.17  -0.04   0.39
    24   1     0.10  -0.04   0.30     0.26  -0.03   0.30    -0.20   0.05  -0.31
    25   1    -0.12   0.14   0.09    -0.19   0.33   0.19    -0.13   0.37   0.17
    26   1     0.09   0.00  -0.02     0.37  -0.06  -0.03     0.41  -0.05   0.03
    27   1    -0.17  -0.08  -0.07    -0.30  -0.27  -0.19    -0.25  -0.24  -0.15
    28   1    -0.00   0.02   0.06    -0.00   0.00  -0.04    -0.02  -0.01   0.00
    29   6     0.22   0.06  -0.03    -0.06  -0.03   0.04     0.02   0.00  -0.02
    30   1     0.02   0.06   0.02    -0.02  -0.04   0.01     0.02   0.02   0.01
    31   1     0.45   0.06  -0.11    -0.11  -0.01   0.09     0.03  -0.00  -0.03
    32   1     0.23  -0.15  -0.04    -0.07   0.00   0.05     0.03  -0.01  -0.04
    33   1     0.20   0.29  -0.01    -0.06  -0.11   0.02     0.04   0.03  -0.00
                     13                     14                     15
                      A                      A                      A
 Frequencies --    280.3685               339.0597               356.4922
 Red. masses --      3.4970                 3.9325                 3.0102
 Frc consts  --      0.1620                 0.2664                 0.2254
 IR Inten    --      0.9761                 1.2175                 0.5534
 RamAct Fr= 1--      0.3209                 1.9542                 2.5735
  Dep-P Fr= 1--      0.3265                 0.3891                 0.6762
  Dep-U Fr= 1--      0.4923                 0.5603                 0.8068
 Alpha2 Fr= 1--      0.0030                 0.0150                 0.0034
 Beta2  Fr= 1--      0.0263                 0.1825                 0.3461
 AlphaG Fr= 1--      0.0002                 0.0100                -0.0015
 Gamma2 Fr= 1--     -0.6074                 0.2672                 0.6135
 Delta2 Fr= 1--     -0.2587                -0.6756                 0.2990
 Raman1 Fr= 1--       1.284                  7.817                 10.294
 ROA1   Fr= 1--     -66.591                  4.036                 68.461
 CID1   Fr= 1--     -51.876                  0.516                  6.650
 Raman2 Fr= 1--       0.316                  2.190                  4.153
 ROA2   Fr= 1--     -12.508                 11.818                 12.332
 CID2   Fr= 1--     -39.588                  5.397                  2.970
 Raman3 Fr= 1--       0.632                  4.379                  8.305
 ROA3   Fr= 1--     -66.591                  4.036                 68.461
 CID3   Fr= 1--    -105.381                  0.922                  8.243
 RC180  Fr= 1--      -0.015                  0.121                  0.614
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.12  -0.02    -0.08   0.00   0.04     0.01  -0.02  -0.05
     2   6     0.03   0.13  -0.04    -0.01  -0.02   0.15     0.08  -0.09  -0.10
     3   6     0.07   0.04   0.01    -0.02   0.05  -0.14    -0.04   0.10   0.06
     4   6     0.01  -0.02  -0.01     0.03   0.07  -0.14    -0.02   0.09   0.04
     5   6    -0.03   0.02  -0.04     0.12   0.05  -0.08     0.01   0.08   0.08
     6   6    -0.02   0.10  -0.06     0.07  -0.01   0.10     0.07  -0.03  -0.02
     7   6     0.02  -0.04   0.04     0.03  -0.04   0.09     0.07  -0.08  -0.04
     8   6    -0.00  -0.10   0.05     0.02   0.08  -0.04     0.07   0.00  -0.06
     9   6     0.10  -0.11  -0.07    -0.02   0.10  -0.00    -0.09   0.00   0.15
    10   6    -0.11   0.00   0.11     0.09  -0.07  -0.12    -0.03   0.13  -0.01
    11   6    -0.01  -0.09   0.04    -0.04  -0.04  -0.00    -0.02  -0.04  -0.01
    12   6    -0.03  -0.08   0.05    -0.04  -0.08   0.07    -0.00  -0.07  -0.01
    13   8    -0.12  -0.01   0.14    -0.15  -0.01   0.16    -0.03  -0.04   0.04
    14   8     0.04  -0.01  -0.07    -0.01  -0.04  -0.01     0.07  -0.03  -0.09
    15   1     0.12   0.16  -0.01    -0.19  -0.05   0.05    -0.03  -0.05  -0.06
    16   1     0.13   0.01   0.04    -0.06   0.06  -0.23    -0.07   0.14   0.11
    17   1    -0.08  -0.02  -0.05     0.23   0.09  -0.10     0.03   0.14   0.14
    18   1    -0.07   0.13  -0.10     0.13  -0.03   0.16     0.09  -0.04  -0.01
    19   1     0.16  -0.08   0.09    -0.01  -0.06   0.26     0.02  -0.09   0.08
    20   1    -0.12  -0.09   0.02     0.12  -0.22  -0.00     0.04  -0.18  -0.09
    21   1     0.00  -0.10   0.04     0.03   0.09  -0.05     0.09  -0.02  -0.10
    22   1    -0.04  -0.19  -0.12    -0.07   0.12   0.01    -0.22   0.23   0.27
    23   1     0.21  -0.14  -0.27    -0.03   0.14  -0.01    -0.11   0.04   0.17
    24   1     0.24   0.00   0.04    -0.04   0.04   0.02    -0.14  -0.27   0.28
    25   1    -0.16   0.04   0.20     0.13  -0.12  -0.17    -0.04   0.13   0.01
    26   1    -0.12  -0.00   0.20     0.15  -0.06  -0.30    -0.12   0.13   0.15
    27   1    -0.16   0.08  -0.01     0.11  -0.23   0.00    -0.01   0.30  -0.09
    28   1    -0.06  -0.06   0.11    -0.19  -0.06   0.04    -0.08  -0.04   0.01
    29   6     0.00   0.04  -0.12     0.03  -0.01  -0.07    -0.09  -0.02  -0.03
    30   1     0.01   0.11  -0.06    -0.04   0.03  -0.02     0.09   0.08  -0.05
    31   1    -0.07  -0.05  -0.26    -0.03  -0.04  -0.10    -0.15  -0.05  -0.05
    32   1     0.04   0.16  -0.21     0.08   0.02  -0.18    -0.12   0.08   0.03
    33   1     0.07   0.14  -0.05     0.12   0.02   0.02    -0.13  -0.06  -0.07
                     16                     17                     18
                      A                      A                      A
 Frequencies --    390.1550               406.2980               422.1183
 Red. masses --      2.5679                 1.9758                 3.4831
 Frc consts  --      0.2303                 0.1922                 0.3657
 IR Inten    --      1.6590                 0.1776                 2.8790
 RamAct Fr= 1--      1.1762                 0.6961                 2.7479
  Dep-P Fr= 1--      0.4096                 0.1164                 0.1482
  Dep-U Fr= 1--      0.5812                 0.2085                 0.2582
 Alpha2 Fr= 1--      0.0084                 0.0117                 0.0427
 Beta2  Fr= 1--      0.1139                 0.0242                 0.1182
 AlphaG Fr= 1--      0.0039                 0.0189                -0.0506
 Gamma2 Fr= 1--      0.0800                 0.2863                -1.0485
 Delta2 Fr= 1--     -0.0033                 0.1489                -0.0258
 Raman1 Fr= 1--       4.705                  2.785                 10.992
 ROA1   Fr= 1--       7.570                 32.252               -101.478
 CID1   Fr= 1--       1.609                 11.582                 -9.232
 Raman2 Fr= 1--       1.367                  0.290                  1.419
 ROA2   Fr= 1--       1.945                  5.680                -24.956
 CID2   Fr= 1--       1.423                 19.565                -17.590
 Raman3 Fr= 1--       2.734                  0.581                  2.838
 ROA3   Fr= 1--       7.570                 32.252               -101.478
 CID3   Fr= 1--       2.769                 55.549                -35.762
 RC180  Fr= 1--       0.162                 -0.583                 -0.484
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.03   0.06    -0.01  -0.07  -0.02    -0.01   0.10   0.09
     2   6    -0.03   0.04   0.07     0.03  -0.07   0.04     0.09   0.02  -0.00
     3   6     0.02  -0.04  -0.06    -0.04   0.07   0.01     0.04  -0.05  -0.09
     4   6     0.03  -0.05  -0.08    -0.03   0.05  -0.04    -0.08  -0.05  -0.02
     5   6     0.02  -0.04  -0.06     0.05   0.00  -0.03    -0.08   0.00   0.13
     6   6    -0.03   0.03   0.06     0.02  -0.05   0.08     0.03  -0.08  -0.09
     7   6     0.02  -0.01  -0.08     0.07   0.14  -0.05     0.13  -0.02   0.04
     8   6    -0.05  -0.08  -0.13     0.05  -0.04   0.04     0.14   0.00   0.03
     9   6     0.01  -0.13   0.10     0.02  -0.03  -0.04    -0.02   0.04   0.00
    10   6     0.03   0.15  -0.02    -0.05   0.00   0.07    -0.03  -0.02   0.02
    11   6     0.00   0.00  -0.01    -0.05   0.00  -0.04    -0.11  -0.01  -0.11
    12   6    -0.01   0.04   0.02    -0.03  -0.01  -0.01    -0.09   0.08  -0.05
    13   8    -0.01   0.03   0.01    -0.02   0.00   0.04     0.04   0.06   0.02
    14   8    -0.06   0.01   0.07    -0.01  -0.01   0.01    -0.08   0.03   0.13
    15   1    -0.04   0.05   0.10    -0.07  -0.14  -0.07    -0.08   0.16   0.20
    16   1     0.03  -0.06  -0.09    -0.09   0.11   0.03     0.15  -0.14  -0.14
    17   1     0.02  -0.05  -0.08     0.14   0.03  -0.06    -0.10   0.08   0.25
    18   1    -0.04   0.04   0.08     0.03  -0.04   0.14    -0.00  -0.10  -0.25
    19   1     0.09  -0.02  -0.16    -0.00   0.22  -0.51     0.14  -0.04   0.15
    20   1     0.11   0.03  -0.06     0.19   0.55   0.14     0.07  -0.11   0.01
    21   1    -0.05  -0.07  -0.12     0.06  -0.07   0.02     0.17  -0.03  -0.03
    22   1     0.03   0.13   0.24     0.02  -0.13  -0.09    -0.14   0.01  -0.01
    23   1     0.04  -0.34   0.15     0.01   0.03  -0.06    -0.05   0.22  -0.02
    24   1     0.07  -0.23   0.25     0.01   0.02  -0.10    -0.09  -0.08   0.00
    25   1     0.09   0.30  -0.16    -0.08  -0.05   0.14    -0.09  -0.12   0.15
    26   1     0.00   0.13   0.30    -0.14   0.01   0.12    -0.11   0.00  -0.04
    27   1     0.12   0.35  -0.05    -0.06   0.11  -0.02    -0.08   0.03  -0.09
    28   1     0.01   0.00  -0.02    -0.08  -0.01  -0.05    -0.03  -0.03  -0.19
    29   6     0.05  -0.01  -0.02    -0.01  -0.03  -0.03     0.02  -0.08  -0.11
    30   1    -0.07  -0.07   0.04     0.05  -0.02   0.05     0.15  -0.14   0.25
    31   1     0.08   0.01  -0.01     0.00  -0.01  -0.01     0.11  -0.05  -0.08
    32   1     0.08  -0.06  -0.07     0.00  -0.06  -0.06     0.06  -0.21  -0.18
    33   1     0.10   0.03   0.02     0.01  -0.03  -0.02     0.07  -0.02  -0.06
                     19                     20                     21
                      A                      A                      A
 Frequencies --    422.8734               502.4175               518.1681
 Red. masses --      2.9226                 3.3780                 3.0615
 Frc consts  --      0.3079                 0.5024                 0.4843
 IR Inten    --      1.0085                 1.6552                19.6331
 RamAct Fr= 1--      0.5844                 0.3494                 0.8565
  Dep-P Fr= 1--      0.2032                 0.4203                 0.0872
  Dep-U Fr= 1--      0.3378                 0.5918                 0.1605
 Alpha2 Fr= 1--      0.0079                 0.0024                 0.0155
 Beta2  Fr= 1--      0.0329                 0.0345                 0.0229
 AlphaG Fr= 1--      0.0321                -0.0044                -0.0161
 Gamma2 Fr= 1--      0.5308                 0.1838                -0.0835
 Delta2 Fr= 1--      0.1217                 0.0550                -0.0436
 Raman1 Fr= 1--       2.338                  1.397                  3.426
 ROA1   Fr= 1--      54.849                 19.402                 -9.412
 CID1   Fr= 1--      23.464                 13.884                 -2.747
 Raman2 Fr= 1--       0.395                  0.414                  0.275
 ROA2   Fr= 1--      11.765                  3.970                 -1.656
 CID2   Fr= 1--      29.800                  9.601                 -6.024
 Raman3 Fr= 1--       0.790                  0.827                  0.550
 ROA3   Fr= 1--      54.849                 19.402                 -9.412
 CID3   Fr= 1--      69.467                 23.460                -17.121
 RC180  Fr= 1--      -0.324                  0.184                 -0.679
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.04   0.15     0.02   0.01  -0.06    -0.09   0.05   0.05
     2   6    -0.04  -0.04   0.01     0.01   0.11   0.17    -0.01  -0.01  -0.04
     3   6     0.04  -0.07  -0.15     0.00  -0.02  -0.06    -0.05  -0.04  -0.06
     4   6     0.04   0.05  -0.00    -0.15   0.06   0.12     0.00  -0.08  -0.12
     5   6    -0.02   0.12   0.13    -0.02  -0.09  -0.03    -0.06  -0.05  -0.07
     6   6     0.07  -0.10  -0.13    -0.01  -0.05  -0.03    -0.11   0.04   0.06
     7   6    -0.05   0.06  -0.05     0.09   0.03   0.09     0.07  -0.05  -0.07
     8   6    -0.06  -0.02   0.00    -0.00  -0.02  -0.04     0.21  -0.01   0.02
     9   6     0.03  -0.03  -0.02     0.01  -0.04   0.00    -0.01   0.04   0.01
    10   6    -0.01   0.01   0.02     0.02   0.02  -0.03    -0.02  -0.01   0.03
    11   6     0.05   0.01   0.05    -0.14   0.08   0.02    -0.00   0.06   0.07
    12   6     0.04  -0.05   0.03    -0.09  -0.04  -0.05     0.05  -0.03   0.06
    13   8    -0.03  -0.04   0.00     0.04  -0.09  -0.03    -0.00  -0.05  -0.03
    14   8     0.04  -0.02  -0.07     0.08   0.02  -0.11     0.05   0.01  -0.06
    15   1    -0.16   0.12   0.30     0.05  -0.12  -0.24    -0.15   0.11   0.17
    16   1     0.05  -0.13  -0.34     0.14  -0.17  -0.21    -0.07  -0.00   0.02
    17   1    -0.07   0.22   0.29     0.08  -0.18  -0.22    -0.11  -0.03  -0.00
    18   1     0.19  -0.22  -0.26    -0.01  -0.12  -0.26    -0.19   0.12   0.16
    19   1    -0.08   0.10  -0.27     0.18   0.01   0.10     0.04  -0.04  -0.03
    20   1     0.01   0.26   0.05     0.16  -0.01   0.07     0.03  -0.05  -0.06
    21   1    -0.07  -0.00   0.03     0.03  -0.05  -0.09     0.20  -0.00   0.04
    22   1     0.08  -0.06  -0.03     0.02   0.01   0.03    -0.16   0.02  -0.00
    23   1     0.05  -0.10  -0.03     0.03  -0.10   0.00    -0.08   0.32   0.02
    24   1     0.07   0.06  -0.03     0.04  -0.04   0.04    -0.15  -0.17  -0.02
    25   1     0.00   0.06  -0.02     0.04   0.05  -0.08    -0.14  -0.13   0.27
    26   1     0.02   0.00   0.07     0.02   0.01   0.02    -0.15   0.01  -0.00
    27   1    -0.00   0.01   0.03     0.05   0.04  -0.01    -0.12   0.10  -0.17
    28   1    -0.01   0.02   0.09    -0.14   0.10   0.05    -0.05   0.09   0.15
    29   6    -0.01   0.04   0.06    -0.01   0.07   0.09     0.04   0.10   0.12
    30   1    -0.06   0.08  -0.13     0.37   0.25   0.15    -0.17   0.16  -0.19
    31   1    -0.07   0.03   0.06     0.04   0.13   0.20     0.07   0.14   0.19
    32   1    -0.03   0.10   0.10     0.01  -0.07   0.06     0.07   0.02   0.06
    33   1    -0.03  -0.01   0.04     0.02   0.03   0.12     0.09   0.09   0.16
                     22                     23                     24
                      A                      A                      A
 Frequencies --    597.9521               627.9958               641.7787
 Red. masses --      1.6463                 2.0248                 3.4887
 Frc consts  --      0.3468                 0.4705                 0.8466
 IR Inten    --     61.7871                39.5132                20.7044
 RamAct Fr= 1--      1.9203                 0.4955                 3.3618
  Dep-P Fr= 1--      0.4109                 0.5623                 0.6505
  Dep-U Fr= 1--      0.5825                 0.7199                 0.7882
 Alpha2 Fr= 1--      0.0137                 0.0018                 0.0060
 Beta2  Fr= 1--      0.1864                 0.0594                 0.4416
 AlphaG Fr= 1--     -0.0010                 0.0096                -0.0273
 Gamma2 Fr= 1--     -1.2461                 0.0104                -0.2207
 Delta2 Fr= 1--      0.0042                -0.1465                 0.1465
 Raman1 Fr= 1--       7.681                  1.982                 13.447
 ROA1   Fr= 1--    -119.495                 -3.692                -16.501
 CID1   Fr= 1--     -15.557                 -1.863                 -1.227
 Raman2 Fr= 1--       2.237                  0.713                  5.300
 ROA2   Fr= 1--     -29.941                  1.421                 -6.469
 CID2   Fr= 1--     -13.384                  1.992                 -1.221
 Raman3 Fr= 1--       4.474                  1.427                 10.600
 ROA3   Fr= 1--    -119.495                 -3.692                -16.501
 CID3   Fr= 1--     -26.707                 -2.588                 -1.557
 RC180  Fr= 1--       0.165                  0.440                  0.576
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02   0.02    -0.04  -0.03   0.04     0.08  -0.06   0.09
     2   6     0.04  -0.04  -0.08    -0.10   0.03   0.05    -0.00  -0.06   0.01
     3   6     0.03  -0.02   0.01    -0.00  -0.05  -0.01     0.12   0.10  -0.02
     4   6     0.05  -0.06  -0.07     0.03   0.06   0.11     0.02   0.05  -0.04
     5   6     0.04  -0.02   0.02     0.02   0.04  -0.05    -0.06   0.09  -0.10
     6   6     0.03   0.03   0.03    -0.02   0.06  -0.00    -0.08  -0.06   0.02
     7   6    -0.03  -0.00  -0.01    -0.04  -0.04  -0.09    -0.02  -0.02  -0.01
     8   6    -0.05   0.01   0.01     0.10  -0.01   0.00    -0.00   0.00   0.00
     9   6    -0.00   0.01  -0.00     0.01   0.02   0.01    -0.00   0.01   0.00
    10   6    -0.00  -0.00   0.00     0.00  -0.01   0.02     0.00  -0.00   0.01
    11   6    -0.03   0.06  -0.03     0.10  -0.03   0.01    -0.04  -0.13   0.14
    12   6    -0.08  -0.03  -0.05     0.01   0.01  -0.05    -0.03   0.03   0.11
    13   8    -0.02  -0.02   0.03    -0.03   0.05   0.02     0.06  -0.11  -0.13
    14   8    -0.02  -0.02  -0.05    -0.05  -0.04  -0.01    -0.06   0.17  -0.01
    15   1    -0.01   0.13   0.18     0.08  -0.11  -0.14     0.01  -0.07   0.12
    16   1    -0.01   0.06   0.17     0.02  -0.14  -0.26     0.05   0.13  -0.06
    17   1    -0.02   0.06   0.16     0.05  -0.11  -0.27    -0.02   0.14  -0.06
    18   1    -0.03   0.11   0.19     0.11  -0.07  -0.15    -0.03  -0.07   0.12
    19   1    -0.05   0.00  -0.01    -0.04  -0.05  -0.08    -0.04  -0.02   0.02
    20   1    -0.06  -0.00  -0.01    -0.02  -0.02  -0.08    -0.02  -0.05  -0.03
    21   1    -0.05   0.01   0.01     0.06   0.04   0.08    -0.01   0.01   0.02
    22   1     0.03  -0.00  -0.01    -0.08   0.02   0.01    -0.00   0.01   0.00
    23   1     0.01  -0.05  -0.01    -0.05   0.19   0.03    -0.00   0.01   0.00
    24   1     0.03   0.06   0.00    -0.09  -0.12  -0.02    -0.01   0.00  -0.00
    25   1     0.02   0.02  -0.04    -0.08  -0.07   0.17    -0.00  -0.01   0.01
    26   1     0.03  -0.01  -0.00    -0.08   0.01   0.02    -0.00  -0.00  -0.00
    27   1     0.02  -0.04   0.05    -0.07   0.06  -0.12    -0.00  -0.01   0.01
    28   1     0.01   0.10   0.02     0.13  -0.04  -0.02    -0.08  -0.17   0.07
    29   6     0.01   0.05   0.05    -0.00  -0.01  -0.01    -0.01  -0.05  -0.03
    30   1     0.68   0.01   0.48     0.49  -0.18   0.36     0.38   0.42   0.36
    31   1     0.05   0.12   0.18    -0.08  -0.06  -0.07    -0.02  -0.20  -0.30
    32   1     0.01  -0.06   0.05    -0.05   0.13   0.11     0.03   0.07  -0.15
    33   1     0.02  -0.04   0.05    -0.09  -0.05  -0.09     0.05   0.21   0.05
                     25                     26                     27
                      A                      A                      A
 Frequencies --    665.6959               703.4642               769.4432
 Red. masses --      5.2652                 3.1641                 3.6831
 Frc consts  --      1.3747                 0.9225                 1.2847
 IR Inten    --      5.9923                34.0466                 8.8997
 RamAct Fr= 1--      4.5586                 0.3740                22.3889
  Dep-P Fr= 1--      0.5349                 0.5349                 0.0174
  Dep-U Fr= 1--      0.6970                 0.6970                 0.0343
 Alpha2 Fr= 1--      0.0189                 0.0016                 0.4776
 Beta2  Fr= 1--      0.5296                 0.0434                 0.1279
 AlphaG Fr= 1--     -0.0178                -0.0065                 0.1217
 Gamma2 Fr= 1--      0.0655                 1.0511                 0.7455
 Delta2 Fr= 1--     -0.5614                 0.2441                 0.0052
 Raman1 Fr= 1--      18.235                  1.496                 89.555
 ROA1   Fr= 1--     -11.683                108.721                 71.731
 CID1   Fr= 1--      -0.641                 72.666                  0.801
 Raman2 Fr= 1--       6.355                  0.521                  1.535
 ROA2   Fr= 1--       6.062                 23.275                 17.850
 CID2   Fr= 1--       0.954                 44.640                 11.630
 Raman3 Fr= 1--      12.710                  1.043                  3.070
 ROA3   Fr= 1--     -11.683                108.721                 71.731
 CID3   Fr= 1--      -0.919                104.262                 23.369
 RC180  Fr= 1--       0.394                  0.394                 -0.931
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.19   0.12  -0.12    -0.07  -0.01  -0.12    -0.05   0.15   0.02
     2   6    -0.00   0.07  -0.04     0.01   0.02   0.04     0.14  -0.09  -0.14
     3   6    -0.20  -0.15  -0.01    -0.12   0.03   0.02     0.02   0.04  -0.13
     4   6     0.00  -0.06   0.05     0.01  -0.05  -0.09    -0.13   0.08   0.13
     5   6     0.21  -0.10   0.12    -0.09   0.01   0.03     0.01  -0.13  -0.03
     6   6     0.23   0.17   0.01    -0.04  -0.06  -0.08    -0.05  -0.04   0.13
     7   6    -0.02   0.01  -0.04     0.10   0.08   0.17     0.08  -0.04  -0.05
     8   6     0.01  -0.00   0.00     0.02  -0.01  -0.01    -0.11   0.01  -0.00
     9   6     0.00   0.01  -0.00    -0.00  -0.06  -0.01    -0.02   0.08   0.00
    10   6    -0.00  -0.00   0.01     0.01   0.03  -0.06    -0.03  -0.03   0.06
    11   6    -0.03  -0.09   0.09     0.12  -0.07   0.07     0.02  -0.06   0.06
    12   6    -0.03   0.01   0.11     0.16   0.02   0.06     0.12   0.03  -0.00
    13   8     0.04  -0.11  -0.08    -0.04   0.06  -0.04    -0.00   0.08  -0.03
    14   8    -0.03   0.14   0.01    -0.07  -0.03  -0.04    -0.01  -0.06  -0.03
    15   1    -0.10   0.16  -0.12    -0.16  -0.02  -0.09    -0.20   0.15   0.12
    16   1    -0.14  -0.19  -0.01    -0.20   0.13   0.14     0.17  -0.10  -0.26
    17   1     0.14  -0.15   0.10    -0.18   0.09   0.20     0.17  -0.18  -0.20
    18   1     0.20   0.19  -0.02    -0.12   0.00  -0.07    -0.19   0.07   0.19
    19   1    -0.03   0.03  -0.17     0.11   0.08   0.14     0.05  -0.03  -0.07
    20   1     0.01   0.13   0.02     0.12   0.08   0.17     0.06  -0.04  -0.05
    21   1    -0.01   0.02   0.02     0.09  -0.08  -0.13    -0.07  -0.03  -0.07
    22   1    -0.01   0.01  -0.00     0.02  -0.06  -0.01     0.08   0.09   0.01
    23   1    -0.00   0.04   0.00     0.02  -0.11  -0.02     0.04  -0.11  -0.02
    24   1    -0.01  -0.00  -0.01     0.03  -0.04   0.01     0.09   0.24   0.03
    25   1    -0.01  -0.00   0.02     0.03   0.04  -0.10     0.06   0.04  -0.10
    26   1    -0.01   0.00   0.01     0.03   0.02  -0.05     0.07  -0.05   0.08
    27   1    -0.01   0.01  -0.01     0.04   0.02  -0.02     0.05  -0.12   0.23
    28   1    -0.04  -0.12   0.04     0.07  -0.08   0.07    -0.03  -0.09   0.02
    29   6    -0.01  -0.07  -0.05     0.02   0.01   0.03     0.01  -0.00   0.03
    30   1     0.10   0.40   0.15     0.46  -0.19   0.32     0.12  -0.26   0.03
    31   1    -0.01  -0.18  -0.25    -0.04  -0.08  -0.11    -0.05  -0.11  -0.16
    32   1     0.02   0.01  -0.13    -0.00   0.19   0.08    -0.01   0.16   0.04
    33   1     0.03   0.12   0.01    -0.02   0.07  -0.00    -0.02   0.13   0.02
                     28                     29                     30
                      A                      A                      A
 Frequencies --    778.4215               818.6302               838.6260
 Red. masses --      3.1503                 3.0379                 2.6289
 Frc consts  --      1.1247                 1.1995                 1.0893
 IR Inten    --      9.3848                 9.9325                 0.4500
 RamAct Fr= 1--     12.4822                 4.7247                14.8199
  Dep-P Fr= 1--      0.0563                 0.1262                 0.0375
  Dep-U Fr= 1--      0.1067                 0.2241                 0.0723
 Alpha2 Fr= 1--      0.2429                 0.0775                 0.3016
 Beta2  Fr= 1--      0.2219                 0.1765                 0.1786
 AlphaG Fr= 1--      0.0168                 0.0011                 0.0660
 Gamma2 Fr= 1--      0.0158                 1.5890                 0.5726
 Delta2 Fr= 1--     -0.1571                 0.0566                 0.0517
 Raman1 Fr= 1--      49.929                 18.899                 59.280
 ROA1   Fr= 1--      -3.513                154.355                 56.621
 CID1   Fr= 1--      -0.070                  8.168                  0.955
 Raman2 Fr= 1--       2.663                  2.118                  2.143
 ROA2   Fr= 1--       1.635                 37.683                 13.329
 CID2   Fr= 1--       0.614                 17.791                  6.220
 Raman3 Fr= 1--       5.326                  4.236                  4.285
 ROA3   Fr= 1--      -3.513                154.355                 56.621
 CID3   Fr= 1--      -0.660                 36.438                 13.212
 RC180  Fr= 1--      -0.787                 -0.552                 -0.855
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.02   0.04     0.04   0.03   0.04    -0.03  -0.04   0.04
     2   6     0.01  -0.07  -0.12     0.01  -0.03  -0.06     0.03  -0.04  -0.08
     3   6     0.00  -0.08  -0.06     0.05   0.01   0.01    -0.05  -0.08   0.02
     4   6    -0.00   0.07   0.13    -0.05   0.02   0.03     0.03   0.02   0.04
     5   6     0.02   0.02  -0.11     0.03  -0.04   0.06    -0.06   0.06  -0.03
     6   6    -0.01   0.06  -0.00     0.00  -0.00   0.06    -0.06   0.05   0.00
     7   6    -0.02   0.09   0.17    -0.12   0.05   0.04     0.13   0.02   0.04
     8   6     0.08   0.01   0.03     0.06   0.02   0.05    -0.04   0.00  -0.01
     9   6    -0.00  -0.14  -0.01     0.00  -0.12   0.00    -0.02   0.04  -0.00
    10   6     0.02   0.07  -0.12     0.02   0.06  -0.10    -0.02  -0.02   0.04
    11   6     0.03  -0.03   0.04    -0.08   0.08  -0.07     0.12   0.10  -0.10
    12   6    -0.13   0.01  -0.10     0.21  -0.01   0.16    -0.00  -0.05   0.09
    13   8     0.04  -0.00   0.02    -0.06   0.01  -0.04    -0.04  -0.09   0.02
    14   8     0.04  -0.00   0.03    -0.05  -0.00  -0.04    -0.03   0.08   0.03
    15   1    -0.13   0.18   0.36     0.10   0.01  -0.02    -0.02  -0.02   0.06
    16   1    -0.10  -0.00  -0.02     0.19  -0.13  -0.11    -0.08  -0.10  -0.12
    17   1    -0.08   0.06   0.01     0.18  -0.17  -0.21    -0.03  -0.15  -0.32
    18   1    -0.10   0.23   0.37     0.05  -0.07  -0.08    -0.01  -0.02  -0.13
    19   1    -0.13   0.12   0.17    -0.22   0.06   0.10     0.14   0.01   0.08
    20   1    -0.12   0.12   0.19    -0.25   0.04   0.04     0.12  -0.03   0.02
    21   1     0.13  -0.04  -0.05     0.02   0.05   0.11     0.05  -0.11  -0.17
    22   1    -0.05  -0.20  -0.04    -0.07  -0.21  -0.05     0.07   0.07   0.01
    23   1    -0.01  -0.06  -0.02    -0.03   0.02  -0.01     0.03  -0.13  -0.02
    24   1    -0.04  -0.18  -0.03    -0.07  -0.18  -0.05     0.08   0.16   0.04
    25   1    -0.00   0.02  -0.06    -0.04  -0.02   0.03     0.05   0.04  -0.09
    26   1    -0.01   0.08  -0.19    -0.04   0.09  -0.20     0.05  -0.04   0.08
    27   1    -0.00   0.08  -0.17    -0.04   0.07  -0.19     0.05  -0.06   0.15
    28   1     0.10  -0.07  -0.06    -0.21   0.15   0.11     0.12   0.16   0.00
    29   6     0.01  -0.01   0.01    -0.03  -0.03  -0.07     0.03  -0.02  -0.09
    30   1    -0.12  -0.01  -0.09     0.13   0.00   0.09    -0.02   0.31   0.08
    31   1    -0.06  -0.08  -0.11     0.07   0.12   0.18    -0.05   0.12   0.21
    32   1    -0.03   0.14   0.08     0.01  -0.30  -0.15    -0.06  -0.07   0.14
    33   1    -0.06   0.03  -0.04     0.07  -0.15  -0.01    -0.09  -0.43  -0.24
                     31                     32                     33
                      A                      A                      A
 Frequencies --    852.3833               857.0206               872.5558
 Red. masses --      2.4864                 1.4125                 1.9313
 Frc consts  --      1.0644                 0.6112                 0.8664
 IR Inten    --      7.1040                 1.1679                21.3620
 RamAct Fr= 1--      9.4961                 2.1489                 2.4631
  Dep-P Fr= 1--      0.1728                 0.4597                 0.7048
  Dep-U Fr= 1--      0.2947                 0.6298                 0.8268
 Alpha2 Fr= 1--      0.1385                 0.0127                 0.0019
 Beta2  Fr= 1--      0.4663                 0.2256                 0.3394
 AlphaG Fr= 1--     -0.1208                 0.0115                -0.0064
 Gamma2 Fr= 1--      0.8006                -0.8305                 0.1551
 Delta2 Fr= 1--     -0.2255                -0.8091                 0.0388
 Raman1 Fr= 1--      37.984                  8.596                  9.852
 ROA1   Fr= 1--      69.645               -105.620                 16.137
 CID1   Fr= 1--       1.834                -12.288                  1.638
 Raman2 Fr= 1--       5.596                  2.707                  4.073
 ROA2   Fr= 1--      21.019                -13.459                  3.413
 CID2   Fr= 1--       3.756                 -4.972                  0.838
 Raman3 Fr= 1--      11.192                  5.414                  8.146
 ROA3   Fr= 1--      69.645               -105.620                 16.137
 CID3   Fr= 1--       6.223                -19.510                  1.981
 RC180  Fr= 1--      -0.411                  0.260                  0.654
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.10  -0.06    -0.02   0.07   0.03     0.03   0.00  -0.10
     2   6     0.04  -0.02  -0.02     0.01   0.00   0.01    -0.03   0.05   0.09
     3   6     0.02   0.11  -0.04    -0.01   0.07   0.04     0.05   0.01  -0.09
     4   6     0.01  -0.05  -0.08    -0.01   0.00   0.00    -0.05   0.05   0.08
     5   6    -0.02  -0.04   0.13     0.02  -0.07  -0.04     0.02  -0.08  -0.00
     6   6    -0.05  -0.07   0.10     0.00  -0.07  -0.04    -0.01  -0.08  -0.01
     7   6    -0.06   0.01  -0.01    -0.02  -0.01  -0.00    -0.06  -0.00  -0.05
     8   6     0.01   0.02   0.04     0.00   0.00   0.01     0.02  -0.01  -0.03
     9   6    -0.00  -0.06   0.01     0.00  -0.01   0.00     0.01   0.02  -0.01
    10   6     0.01   0.04  -0.04     0.00   0.01  -0.01     0.01  -0.02   0.02
    11   6     0.13  -0.03  -0.01     0.06   0.02  -0.03     0.07   0.04  -0.03
    12   6    -0.12  -0.01  -0.04    -0.02  -0.02   0.01     0.02  -0.02   0.04
    13   8     0.01  -0.05   0.03    -0.01  -0.03   0.01    -0.02  -0.03   0.01
    14   8     0.01   0.04   0.04    -0.01   0.03   0.01    -0.02   0.03   0.01
    15   1    -0.09   0.02  -0.12     0.12  -0.21  -0.41    -0.22   0.30   0.42
    16   1     0.08   0.08  -0.01     0.20  -0.21  -0.38    -0.11   0.29   0.42
    17   1     0.25  -0.28  -0.36    -0.14   0.20   0.42    -0.03   0.08   0.23
    18   1     0.07  -0.30  -0.41    -0.19   0.18   0.35    -0.14   0.06   0.18
    19   1    -0.14   0.02   0.01    -0.03  -0.00  -0.03     0.01  -0.02  -0.01
    20   1    -0.13   0.02   0.01    -0.03   0.02   0.01    -0.01  -0.06  -0.08
    21   1    -0.02   0.05   0.08    -0.01   0.02   0.03    -0.05   0.04   0.09
    22   1    -0.03  -0.12  -0.03    -0.01  -0.02  -0.00    -0.03   0.06   0.01
    23   1    -0.01   0.01  -0.01    -0.00   0.03  -0.00    -0.02   0.07   0.03
    24   1    -0.03  -0.06  -0.03    -0.02  -0.03  -0.01    -0.03  -0.07  -0.00
    25   1    -0.01  -0.02   0.00    -0.00   0.00   0.00    -0.04  -0.03   0.11
    26   1    -0.01   0.05  -0.12    -0.01   0.01  -0.02    -0.05  -0.01   0.06
    27   1    -0.02   0.01  -0.07    -0.00   0.01  -0.02    -0.03   0.05  -0.08
    28   1     0.23  -0.05  -0.09     0.09   0.02  -0.03     0.07   0.06   0.01
    29   6     0.05   0.04   0.04     0.02  -0.00  -0.02     0.02  -0.03  -0.06
    30   1    -0.06   0.13   0.01    -0.02   0.09   0.02     0.01   0.09   0.04
    31   1    -0.08  -0.03  -0.03    -0.04   0.01   0.04    -0.06   0.01   0.06
    32   1    -0.03   0.25   0.20    -0.03   0.05   0.10    -0.05   0.04   0.11
    33   1    -0.09  -0.05  -0.09    -0.05  -0.13  -0.09    -0.08  -0.24  -0.17
                     34                     35                     36
                      A                      A                      A
 Frequencies --    900.4688               942.5540               958.2125
 Red. masses --      1.5435                 1.2142                 1.5395
 Frc consts  --      0.7374                 0.6355                 0.8328
 IR Inten    --      0.2029                 0.3146                 0.0826
 RamAct Fr= 1--      0.5493                 0.3075                 4.9755
  Dep-P Fr= 1--      0.6983                 0.7499                 0.7497
  Dep-U Fr= 1--      0.8223                 0.8571                 0.8569
 Alpha2 Fr= 1--      0.0005                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0753                 0.0439                 0.7106
 AlphaG Fr= 1--      0.0010                 0.0000                 0.0019
 Gamma2 Fr= 1--     -0.3972                 0.0241                -0.5209
 Delta2 Fr= 1--     -0.2921                 0.0131                 0.7762
 Raman1 Fr= 1--       2.197                  1.230                 19.902
 ROA1   Fr= 1--     -47.475                  2.733                -25.166
 CID1   Fr= 1--     -21.605                  2.222                 -1.264
 Raman2 Fr= 1--       0.903                  0.527                  8.528
 ROA2   Fr= 1--      -7.195                  0.474                -18.711
 CID2   Fr= 1--      -7.964                  0.899                 -2.194
 Raman3 Fr= 1--       1.807                  1.054                 17.055
 ROA3   Fr= 1--     -47.475                  2.733                -25.166
 CID3   Fr= 1--     -26.273                  2.592                 -1.476
 RC180  Fr= 1--       0.645                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03   0.02    -0.00  -0.01   0.01     0.00   0.00  -0.00
     2   6     0.00   0.01  -0.01     0.00   0.01  -0.00    -0.01  -0.00  -0.00
     3   6    -0.03  -0.01   0.00    -0.01  -0.00   0.00     0.00   0.02   0.01
     4   6     0.00   0.01  -0.01     0.00   0.01  -0.00     0.00  -0.01  -0.02
     5   6     0.03  -0.01   0.01     0.01  -0.00   0.00    -0.03   0.04   0.09
     6   6     0.01  -0.03   0.02     0.00  -0.01   0.01     0.04  -0.05  -0.08
     7   6     0.02   0.15  -0.08     0.01   0.06  -0.03    -0.06   0.04   0.05
     8   6     0.01   0.05  -0.02    -0.00  -0.02   0.01     0.02  -0.04  -0.07
     9   6    -0.05  -0.05  -0.02     0.03  -0.01   0.07     0.02   0.05  -0.04
    10   6     0.04  -0.02   0.05    -0.03  -0.06  -0.04     0.01  -0.06   0.02
    11   6    -0.00  -0.01   0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.01
    12   6    -0.01   0.00  -0.01    -0.00   0.00  -0.00    -0.00   0.00   0.00
    13   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   1    -0.01  -0.07  -0.03    -0.01  -0.02   0.00    -0.01   0.03   0.04
    16   1    -0.05  -0.02  -0.07    -0.03   0.00  -0.02     0.07  -0.07  -0.11
    17   1     0.05   0.04   0.05     0.03   0.01   0.02     0.22  -0.28  -0.49
    18   1     0.02  -0.03   0.04     0.01  -0.02   0.01    -0.19   0.28   0.50
    19   1     0.02   0.07   0.51     0.03   0.02   0.21    -0.06   0.04   0.05
    20   1    -0.06  -0.38  -0.34    -0.04  -0.16  -0.14    -0.06   0.02   0.04
    21   1    -0.02  -0.19   0.10     0.03   0.25  -0.14     0.03  -0.05  -0.08
    22   1     0.13  -0.00   0.01    -0.13  -0.42  -0.15     0.01   0.24   0.07
    23   1     0.03  -0.35  -0.04     0.04   0.36  -0.11    -0.02   0.01   0.06
    24   1     0.11   0.14   0.05    -0.06   0.14  -0.15    -0.01  -0.11   0.04
    25   1    -0.09  -0.15   0.30     0.04   0.29  -0.24    -0.02   0.05   0.05
    26   1    -0.13   0.02  -0.03     0.06  -0.12   0.44    -0.04  -0.08   0.25
    27   1    -0.08   0.05  -0.15     0.10   0.18  -0.03     0.01   0.11  -0.09
    28   1    -0.02  -0.03  -0.02    -0.01  -0.01  -0.01     0.00  -0.02  -0.02
    29   6     0.00  -0.00   0.01     0.00  -0.00   0.00    -0.00   0.01   0.02
    30   1    -0.00  -0.01  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    31   1    -0.01  -0.03  -0.04    -0.00  -0.01  -0.01     0.01   0.00  -0.01
    32   1     0.00   0.03   0.00     0.00   0.01   0.00     0.01   0.01  -0.01
    33   1    -0.00   0.04   0.01    -0.00   0.01   0.00     0.01   0.04   0.03
                     37                     38                     39
                      A                      A                      A
 Frequencies --    969.7335               973.7294               982.2434
 Red. masses --      1.6949                 1.5758                 1.4190
 Frc consts  --      0.9391                 0.8803                 0.8066
 IR Inten    --      0.2378                 0.0160                 0.1738
 RamAct Fr= 1--      4.4471                 2.6464                 0.8796
  Dep-P Fr= 1--      0.7497                 0.7496                 0.6825
  Dep-U Fr= 1--      0.8570                 0.8569                 0.8113
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0010
 Beta2  Fr= 1--      0.6352                 0.3779                 0.1189
 AlphaG Fr= 1--     -0.0024                 0.0003                 0.0022
 Gamma2 Fr= 1--      1.2944                -0.1115                -0.4281
 Delta2 Fr= 1--     -0.6687                -0.0863                 0.0587
 Raman1 Fr= 1--      17.789                 10.586                  3.518
 ROA1   Fr= 1--     102.860                -13.469                -39.220
 CID1   Fr= 1--       5.782                 -1.272                -11.147
 Raman2 Fr= 1--       7.622                  4.535                  1.427
 ROA2   Fr= 1--      36.414                 -1.987                -10.744
 CID2   Fr= 1--       4.777                 -0.438                 -7.527
 Raman3 Fr= 1--      15.244                  9.071                  2.855
 ROA3   Fr= 1--     102.860                -13.469                -39.220
 CID3   Fr= 1--       6.747                 -1.485                -13.739
 RC180  Fr= 1--       0.714                  0.714                  0.623
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02   0.03     0.00   0.01  -0.00     0.04  -0.06  -0.09
     2   6     0.00   0.02   0.04    -0.00  -0.01  -0.00    -0.00   0.02   0.03
     3   6     0.01  -0.04  -0.04     0.01   0.00  -0.00    -0.04   0.04   0.09
     4   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.01  -0.02
     5   6    -0.03   0.05   0.04    -0.00  -0.00  -0.01    -0.01   0.01  -0.00
     6   6     0.03  -0.04  -0.08    -0.00   0.01   0.00     0.01   0.00  -0.01
     7   6     0.07  -0.06  -0.08    -0.01  -0.04   0.03     0.03  -0.03  -0.04
     8   6    -0.04   0.05   0.09    -0.01  -0.10   0.05    -0.02   0.02   0.04
     9   6    -0.03  -0.06   0.06    -0.05   0.11   0.06    -0.01  -0.02   0.02
    10   6    -0.00   0.08  -0.03     0.07  -0.01  -0.11     0.00   0.03  -0.01
    11   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.01  -0.02
    12   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    13   8    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   1     0.07  -0.12  -0.18     0.00   0.01  -0.00    -0.21   0.32   0.54
    16   1    -0.13   0.15   0.26     0.01   0.00   0.01     0.21  -0.33  -0.51
    17   1     0.10  -0.16  -0.32    -0.02   0.01   0.02     0.01  -0.02  -0.05
    18   1    -0.17   0.24   0.42     0.01  -0.01  -0.04    -0.02   0.05   0.07
    19   1     0.12  -0.07  -0.08     0.01  -0.03  -0.11     0.08  -0.04  -0.05
    20   1     0.12  -0.05  -0.08    -0.01   0.08   0.09     0.07  -0.03  -0.04
    21   1    -0.07   0.07   0.16    -0.03  -0.33   0.17    -0.05   0.04   0.09
    22   1    -0.02  -0.34  -0.09     0.15  -0.08  -0.04    -0.02  -0.14  -0.04
    23   1     0.03   0.01  -0.08     0.09  -0.13  -0.10     0.01   0.02  -0.03
    24   1     0.01   0.18  -0.06     0.16   0.53   0.03     0.00   0.07  -0.03
    25   1     0.01  -0.07  -0.01    -0.10   0.04   0.16    -0.00  -0.04   0.01
    26   1     0.01   0.10  -0.31    -0.16   0.01   0.11     0.00   0.05  -0.14
    27   1    -0.03  -0.11   0.06    -0.06   0.30  -0.48    -0.02  -0.05   0.02
    28   1    -0.00   0.00   0.01     0.01   0.01   0.01    -0.01  -0.03  -0.07
    29   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.02   0.02
    30   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.01   0.00
    31   1     0.00   0.00   0.00     0.00   0.01   0.01    -0.01  -0.01  -0.02
    32   1    -0.00   0.00   0.00    -0.00  -0.01  -0.00     0.01   0.04   0.01
    33   1    -0.00  -0.01  -0.00     0.00  -0.01  -0.00    -0.00   0.05   0.02
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1014.6060              1046.9044              1083.7729
 Red. masses --      1.9204                 2.8566                 2.1263
 Frc consts  --      1.1648                 1.8447                 1.4715
 IR Inten    --      2.2265                 4.5330                54.6746
 RamAct Fr= 1--     14.5138                 0.0824                 3.3511
  Dep-P Fr= 1--      0.2563                 0.3728                 0.7313
  Dep-U Fr= 1--      0.4080                 0.5431                 0.8448
 Alpha2 Fr= 1--      0.1690                 0.0007                 0.0011
 Beta2  Fr= 1--      0.9868                 0.0075                 0.4718
 AlphaG Fr= 1--      0.0285                -0.0006                 0.0149
 Gamma2 Fr= 1--      0.4467                -0.1215                -4.4569
 Delta2 Fr= 1--     -0.9409                 0.1539                -1.7169
 Raman1 Fr= 1--      58.055                  0.329                 13.405
 ROA1   Fr= 1--      12.778                 -6.742               -482.802
 CID1   Fr= 1--       0.220                -20.467                -36.018
 Raman2 Fr= 1--      11.842                  0.089                  5.662
 ROA2   Fr= 1--      18.249                 -4.147                -93.230
 CID2   Fr= 1--       1.541                -46.363                -16.466
 Raman3 Fr= 1--      23.684                  0.179                 11.324
 ROA3   Fr= 1--      12.778                 -6.742               -482.802
 CID3   Fr= 1--       0.540                -37.685                -42.636
 RC180  Fr= 1--      -0.184                  0.086                  0.690
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.04  -0.06     0.00  -0.17   0.10     0.01  -0.02   0.01
     2   6    -0.00  -0.01   0.01    -0.03  -0.01  -0.01    -0.01   0.04  -0.02
     3   6    -0.01   0.05   0.00     0.05   0.18  -0.09    -0.02  -0.00   0.00
     4   6     0.07  -0.03   0.02    -0.04  -0.01  -0.01     0.05   0.03  -0.01
     5   6    -0.00   0.02   0.00     0.01  -0.17   0.10     0.02  -0.04   0.04
     6   6    -0.03  -0.04   0.01     0.05   0.18  -0.09    -0.05  -0.04   0.00
     7   6     0.01   0.01  -0.01     0.01  -0.00   0.00     0.01   0.02  -0.01
     8   6     0.00   0.01  -0.00     0.00   0.01   0.00    -0.00  -0.07   0.04
     9   6    -0.00  -0.01   0.00    -0.01  -0.00   0.00     0.02   0.03  -0.01
    10   6    -0.00  -0.00   0.01    -0.00   0.00   0.00    -0.02   0.03  -0.02
    11   6     0.03   0.03   0.18     0.01  -0.01   0.02     0.04   0.19   0.03
    12   6    -0.06   0.02  -0.05    -0.01   0.01  -0.00    -0.05   0.05   0.06
    13   8     0.03   0.03  -0.01     0.00   0.01  -0.00    -0.00   0.00   0.01
    14   8     0.02  -0.02  -0.01     0.00  -0.00  -0.00     0.02  -0.09  -0.03
    15   1    -0.14   0.05   0.01    -0.30  -0.34   0.09     0.06   0.00   0.02
    16   1     0.03  -0.03  -0.16    -0.19   0.30  -0.26    -0.16   0.06  -0.12
    17   1     0.00  -0.02  -0.06    -0.28  -0.34   0.07     0.10  -0.02   0.02
    18   1    -0.01  -0.04   0.04    -0.19   0.31  -0.24    -0.18   0.02  -0.06
    19   1    -0.03   0.01   0.02     0.02  -0.00   0.00     0.25  -0.05   0.02
    20   1     0.04  -0.02  -0.02     0.05  -0.01  -0.01    -0.27   0.00   0.01
    21   1     0.01   0.01  -0.01     0.02  -0.01  -0.02     0.01  -0.11   0.02
    22   1     0.00  -0.03  -0.01     0.01  -0.03  -0.01    -0.01   0.10   0.03
    23   1     0.00  -0.01  -0.01     0.01  -0.01  -0.01    -0.01   0.07   0.04
    24   1     0.00   0.02  -0.01     0.01   0.03  -0.00    -0.01  -0.05   0.02
    25   1     0.00  -0.00   0.00     0.00  -0.00  -0.01     0.03   0.01  -0.11
    26   1     0.00  -0.00   0.01     0.01   0.00  -0.01     0.05   0.03  -0.11
    27   1     0.00  -0.00   0.01     0.00  -0.01   0.02     0.01  -0.06   0.07
    28   1     0.21   0.27   0.54     0.06   0.04   0.10     0.16   0.06  -0.27
    29   6    -0.07  -0.05  -0.12     0.01   0.00  -0.02    -0.05  -0.13   0.02
    30   1     0.02  -0.07  -0.02     0.00  -0.01  -0.00     0.01   0.28   0.03
    31   1     0.12   0.15   0.21    -0.01   0.04   0.06     0.05  -0.31  -0.38
    32   1    -0.01  -0.50  -0.22    -0.01  -0.03   0.03     0.05   0.02  -0.25
    33   1     0.11  -0.22   0.02    -0.00  -0.08  -0.03     0.02   0.31   0.11
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1095.0043              1103.8368              1110.1409
 Red. masses --      1.5980                 2.0355                 1.4810
 Frc consts  --      1.1289                 1.4613                 1.0754
 IR Inten    --      7.0088                45.9944                 0.8120
 RamAct Fr= 1--      1.1148                 7.7039                 4.5578
  Dep-P Fr= 1--      0.5080                 0.2636                 0.1735
  Dep-U Fr= 1--      0.6737                 0.4172                 0.2956
 Alpha2 Fr= 1--      0.0053                 0.0879                 0.0664
 Beta2  Fr= 1--      0.1252                 0.5357                 0.2246
 AlphaG Fr= 1--     -0.0076                 0.0745                 0.0127
 Gamma2 Fr= 1--      1.3008                 1.3811                -0.2364
 Delta2 Fr= 1--      0.7170                 3.5136                 0.0123
 Raman1 Fr= 1--       4.459                 30.815                 18.231
 ROA1   Fr= 1--     147.818                245.021                -22.301
 CID1   Fr= 1--      33.148                  7.951                 -1.223
 Raman2 Fr= 1--       1.502                  6.428                  2.695
 ROA2   Fr= 1--      25.483                  5.038                 -5.772
 CID2   Fr= 1--      16.963                  0.784                 -2.142
 Raman3 Fr= 1--       3.004                 12.856                  5.390
 ROA3   Fr= 1--     147.818                245.021                -22.301
 CID3   Fr= 1--      49.200                 19.059                 -4.138
 RC180  Fr= 1--       0.347                 -0.166                 -0.409
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.04   0.03     0.02   0.01   0.00     0.01   0.01  -0.02
     2   6     0.02   0.04  -0.02     0.02  -0.03   0.01    -0.08   0.02   0.02
     3   6    -0.03  -0.03   0.01     0.00  -0.01   0.02     0.02   0.01   0.00
     4   6    -0.02   0.01  -0.05    -0.03  -0.02  -0.06    -0.00  -0.00  -0.01
     5   6     0.01  -0.00   0.01    -0.03   0.01  -0.00     0.02  -0.01   0.02
     6   6     0.00  -0.02   0.02     0.02   0.04  -0.01     0.00  -0.01  -0.01
     7   6     0.00   0.04  -0.02    -0.01  -0.04   0.03    -0.01  -0.02  -0.03
     8   6    -0.02  -0.09   0.05    -0.01   0.09  -0.05     0.14  -0.00   0.01
     9   6     0.04   0.04  -0.02    -0.02  -0.04   0.01    -0.08   0.01   0.02
    10   6    -0.02   0.04  -0.03     0.04  -0.04   0.03    -0.07   0.02   0.01
    11   6    -0.05  -0.03   0.08    -0.06   0.12   0.09    -0.02   0.00   0.01
    12   6    -0.00  -0.00  -0.03    -0.04   0.05   0.04    -0.00   0.00  -0.00
    13   8     0.02   0.02  -0.01     0.02   0.03  -0.02     0.00   0.01  -0.00
    14   8     0.00   0.02   0.00     0.02  -0.08  -0.03     0.00  -0.00  -0.00
    15   1     0.09  -0.02   0.02     0.07   0.04   0.00     0.06   0.08   0.04
    16   1    -0.09  -0.02  -0.07     0.12  -0.09   0.04     0.07  -0.01   0.03
    17   1     0.17   0.06  -0.01    -0.06  -0.04  -0.06     0.06   0.00   0.02
    18   1    -0.02  -0.01   0.00     0.03   0.03  -0.03     0.03  -0.01   0.08
    19   1     0.36  -0.06   0.06    -0.27   0.04  -0.08    -0.26   0.03   0.03
    20   1    -0.35  -0.02  -0.02     0.34   0.02   0.03    -0.21   0.06   0.03
    21   1    -0.05  -0.12   0.11    -0.04   0.17  -0.01     0.37  -0.23  -0.37
    22   1    -0.04   0.16   0.04     0.00  -0.12  -0.03     0.16  -0.06  -0.02
    23   1    -0.03   0.14   0.07     0.01  -0.07  -0.04     0.06  -0.28  -0.10
    24   1    -0.03  -0.12   0.01    -0.00   0.03  -0.02     0.14   0.31   0.08
    25   1     0.03   0.00  -0.11    -0.05  -0.01   0.16     0.09   0.05  -0.26
    26   1     0.04   0.04  -0.14    -0.07  -0.03   0.14     0.16  -0.02  -0.03
    27   1    -0.00  -0.05   0.05    -0.02   0.08  -0.12     0.09  -0.12   0.30
    28   1    -0.31   0.02   0.27    -0.21   0.06   0.05    -0.08  -0.00   0.03
    29   6     0.08   0.00  -0.04     0.10  -0.09  -0.04     0.02  -0.01  -0.01
    30   1     0.00  -0.14  -0.03     0.00   0.13  -0.00     0.00  -0.02  -0.01
    31   1    -0.17   0.02   0.09    -0.23  -0.24  -0.19    -0.05  -0.02  -0.01
    32   1    -0.06   0.16   0.28    -0.04   0.33   0.25    -0.01   0.07   0.07
    33   1    -0.12  -0.31  -0.25    -0.19  -0.18  -0.30    -0.04  -0.05  -0.06
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1146.1907              1161.8647              1202.8117
 Red. masses --      1.5531                 2.0650                 2.0119
 Frc consts  --      1.2022                 1.6424                 1.7150
 IR Inten    --     46.6366               157.5915                 0.7332
 RamAct Fr= 1--      1.7764                 1.3965                 8.3986
  Dep-P Fr= 1--      0.2566                 0.7306                 0.2634
  Dep-U Fr= 1--      0.4084                 0.8443                 0.4170
 Alpha2 Fr= 1--      0.0207                 0.0005                 0.0958
 Beta2  Fr= 1--      0.1209                 0.1965                 0.5836
 AlphaG Fr= 1--      0.0074                -0.0060                -0.0320
 Gamma2 Fr= 1--     -0.0829                -1.7042                -0.3659
 Delta2 Fr= 1--     -0.2311                -0.6864                 0.3404
 Raman1 Fr= 1--       7.106                  5.586                 33.594
 ROA1   Fr= 1--     -15.356               -185.570                -24.232
 CID1   Fr= 1--      -2.161                -33.220                 -0.721
 Raman2 Fr= 1--       1.451                  2.358                  7.004
 ROA2   Fr= 1--      -0.142                -35.410                -11.504
 CID2   Fr= 1--      -0.098                -15.015                 -1.643
 Raman3 Fr= 1--       2.902                  4.717                 14.007
 ROA3   Fr= 1--     -15.356               -185.570                -24.232
 CID3   Fr= 1--      -5.292                -39.344                 -1.730
 RC180  Fr= 1--      -0.183                  0.689                 -0.166
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.00  -0.02    -0.05   0.01  -0.02     0.02  -0.01   0.01
     2   6    -0.00  -0.02   0.01    -0.00  -0.01   0.00     0.06   0.02   0.04
     3   6     0.05   0.02   0.01     0.05   0.01   0.02    -0.03  -0.02  -0.00
     4   6    -0.05  -0.04   0.01     0.05   0.00   0.00    -0.03  -0.00  -0.01
     5   6    -0.06   0.03  -0.04    -0.04  -0.01  -0.00    -0.02   0.02  -0.02
     6   6     0.08   0.02   0.02     0.03   0.00   0.01     0.02   0.01  -0.00
     7   6     0.00   0.04  -0.03     0.00   0.01  -0.01     0.02  -0.03  -0.06
     8   6    -0.00  -0.05   0.03    -0.00  -0.01   0.01     0.04   0.09   0.18
     9   6     0.02   0.02  -0.01     0.01   0.00  -0.00    -0.05  -0.02  -0.12
    10   6    -0.02   0.02  -0.01    -0.00   0.01  -0.00    -0.05  -0.08  -0.09
    11   6    -0.00  -0.01  -0.01    -0.00   0.13   0.02     0.02   0.01   0.01
    12   6    -0.03   0.05   0.07     0.06  -0.11  -0.12     0.00  -0.00  -0.00
    13   8     0.01   0.02  -0.01    -0.02  -0.04   0.03    -0.00  -0.00   0.00
    14   8     0.01  -0.07  -0.02    -0.01   0.13   0.02    -0.00   0.01   0.00
    15   1    -0.37  -0.17  -0.05    -0.29  -0.12  -0.04    -0.06  -0.04   0.02
    16   1     0.33  -0.11   0.21     0.24  -0.08   0.12    -0.04  -0.01  -0.01
    17   1    -0.33  -0.12  -0.06    -0.33  -0.20  -0.05    -0.02   0.02  -0.02
    18   1     0.44  -0.15   0.26     0.17  -0.07   0.11    -0.06   0.06  -0.03
    19   1     0.11  -0.00   0.09     0.03   0.00   0.03    -0.09  -0.01   0.00
    20   1    -0.14  -0.05  -0.06    -0.03  -0.02  -0.02    -0.08   0.03  -0.02
    21   1    -0.00  -0.10   0.05    -0.01  -0.03   0.02    -0.04   0.18   0.33
    22   1    -0.01   0.07   0.02    -0.01   0.02   0.00     0.11   0.34   0.09
    23   1    -0.01   0.06   0.03    -0.00   0.02   0.01    -0.09  -0.37   0.13
    24   1    -0.01  -0.04   0.00    -0.01  -0.01  -0.00     0.08  -0.19   0.17
    25   1     0.02   0.01  -0.08     0.00  -0.00  -0.01    -0.01   0.32  -0.24
    26   1     0.03   0.02  -0.06     0.00   0.01  -0.02     0.05  -0.12   0.34
    27   1     0.00  -0.03   0.05    -0.00  -0.01   0.01     0.12   0.23  -0.06
    28   1     0.20  -0.01  -0.10    -0.31   0.11   0.12     0.06   0.02   0.02
    29   6     0.01   0.01  -0.01    -0.01  -0.09   0.03    -0.01  -0.01   0.00
    30   1    -0.02   0.25   0.03     0.04  -0.47  -0.06     0.00  -0.02  -0.00
    31   1    -0.01   0.04   0.05    -0.02  -0.23  -0.25     0.02  -0.01  -0.01
    32   1    -0.01   0.00   0.04     0.03   0.13  -0.09     0.00  -0.01  -0.02
    33   1    -0.01  -0.05  -0.04    -0.04   0.19   0.03     0.01   0.02   0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1213.1278              1223.4806              1236.4778
 Red. masses --      1.3080                 2.0005                 2.4868
 Frc consts  --      1.1342                 1.7643                 2.2400
 IR Inten    --      4.4393                12.7242                 2.1598
 RamAct Fr= 1--     61.4261                40.9466                40.2469
  Dep-P Fr= 1--      0.1146                 0.1919                 0.1937
  Dep-U Fr= 1--      0.2056                 0.3220                 0.3245
 Alpha2 Fr= 1--      1.0375                 0.5681                 0.5558
 Beta2  Fr= 1--      2.1054                 2.1976                 2.1769
 AlphaG Fr= 1--     -0.0258                -0.0189                 0.1275
 Gamma2 Fr= 1--      3.2416                 1.9382                 0.2648
 Delta2 Fr= 1--     -0.3430                -0.2470                -0.2810
 Raman1 Fr= 1--     245.705                163.786                160.988
 ROA1   Fr= 1--     300.214                178.166                 16.431
 CID1   Fr= 1--       1.222                  1.088                  0.102
 Raman2 Fr= 1--      25.264                 26.371                 26.122
 ROA2   Fr= 1--      80.541                 48.493                  8.603
 CID2   Fr= 1--       3.188                  1.839                  0.329
 Raman3 Fr= 1--      50.529                 52.742                 52.245
 ROA3   Fr= 1--     300.214                178.166                 16.431
 CID3   Fr= 1--       5.941                  3.378                  0.315
 RC180  Fr= 1--      -0.589                 -0.356                 -0.351
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.04   0.02    -0.09   0.01  -0.04     0.03  -0.00   0.01
     2   6     0.03  -0.00   0.01    -0.03   0.00  -0.02     0.27   0.04   0.10
     3   6     0.01  -0.03   0.02     0.08  -0.01   0.04    -0.06  -0.06   0.01
     4   6    -0.10  -0.02  -0.03     0.20   0.04   0.06     0.05   0.03   0.01
     5   6     0.02   0.04  -0.02     0.06  -0.01   0.03    -0.07   0.04  -0.05
     6   6    -0.00   0.05  -0.03    -0.08  -0.03  -0.01     0.04  -0.01   0.02
     7   6    -0.02   0.00  -0.00     0.03  -0.00   0.01    -0.11  -0.02  -0.03
     8   6     0.01  -0.01  -0.02    -0.01   0.02   0.02     0.04  -0.03  -0.09
     9   6     0.00   0.00   0.01    -0.00  -0.01  -0.01    -0.02   0.00   0.03
    10   6    -0.00   0.01   0.01     0.00  -0.01  -0.01     0.00   0.02   0.03
    11   6     0.04   0.02   0.02    -0.07  -0.03  -0.03     0.01  -0.01  -0.00
    12   6     0.00  -0.01  -0.01    -0.01   0.02   0.02    -0.01   0.01  -0.00
    13   8    -0.00  -0.01   0.01     0.01   0.02  -0.01     0.00   0.01  -0.00
    14   8     0.00   0.02   0.00    -0.00  -0.04  -0.00    -0.00  -0.01   0.00
    15   1    -0.32  -0.22   0.00    -0.49  -0.20  -0.07    -0.28  -0.18  -0.00
    16   1     0.36  -0.20   0.27     0.23  -0.07   0.14    -0.29   0.04  -0.14
    17   1     0.49   0.32   0.02     0.07  -0.01   0.03    -0.36  -0.13  -0.07
    18   1    -0.27   0.18  -0.21    -0.40   0.12  -0.22    -0.23   0.13  -0.17
    19   1    -0.04   0.01  -0.01     0.07  -0.01  -0.02    -0.28   0.03  -0.06
    20   1    -0.04  -0.01  -0.01     0.03  -0.00   0.01    -0.44   0.05   0.03
    21   1     0.01  -0.02  -0.02    -0.00   0.04   0.02    -0.00   0.07  -0.05
    22   1    -0.00  -0.03  -0.01     0.00   0.03   0.01     0.03  -0.09  -0.02
    23   1     0.01   0.03  -0.02    -0.01  -0.04   0.02     0.04   0.01  -0.08
    24   1     0.00   0.04  -0.01     0.01  -0.03   0.01     0.01   0.14  -0.03
    25   1     0.01  -0.03   0.00    -0.01   0.04  -0.00     0.01  -0.09   0.04
    26   1     0.01   0.01  -0.04    -0.01  -0.01   0.04     0.02   0.02  -0.05
    27   1    -0.01  -0.03   0.03     0.01   0.03  -0.03    -0.02  -0.08   0.07
    28   1     0.23   0.08   0.06    -0.44  -0.17  -0.12    -0.16  -0.06  -0.03
    29   6    -0.01  -0.02   0.00     0.02   0.04  -0.01    -0.01   0.01  -0.00
    30   1     0.01  -0.08  -0.01    -0.02   0.18   0.02    -0.01   0.09   0.02
    31   1     0.03  -0.03  -0.03    -0.05   0.06   0.06     0.01   0.03   0.02
    32   1     0.00   0.01  -0.03    -0.01  -0.01   0.05    -0.00  -0.05  -0.01
    33   1     0.01   0.05   0.03    -0.03  -0.08  -0.06     0.01  -0.03   0.01
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1244.5435              1280.4830              1309.4038
 Red. masses --      1.3872                 1.7449                 1.5706
 Frc consts  --      1.2659                 1.6856                 1.5865
 IR Inten    --      0.7248                 2.6298                 1.0400
 RamAct Fr= 1--      6.0472                 5.9228                12.9018
  Dep-P Fr= 1--      0.7382                 0.5615                 0.2104
  Dep-U Fr= 1--      0.8494                 0.7192                 0.3476
 Alpha2 Fr= 1--      0.0012                 0.0212                 0.1704
 Beta2  Fr= 1--      0.8561                 0.7099                 0.7475
 AlphaG Fr= 1--     -0.0148                 0.0085                 0.0452
 Gamma2 Fr= 1--     -0.6047                 2.8581                 2.1036
 Delta2 Fr= 1--      0.0550                 1.3907                 2.3572
 Raman1 Fr= 1--      24.189                 23.691                 51.607
 ROA1   Fr= 1--     -56.289                318.877                277.380
 CID1   Fr= 1--      -2.327                 13.460                  5.375
 Raman2 Fr= 1--      10.273                  8.519                  8.970
 ROA2   Fr= 1--     -14.952                 57.469                 31.630
 CID2   Fr= 1--      -1.455                  6.746                  3.526
 Raman3 Fr= 1--      20.546                 17.038                 17.940
 ROA3   Fr= 1--     -56.289                318.877                277.380
 CID3   Fr= 1--      -2.740                 18.716                 15.462
 RC180  Fr= 1--       0.699                  0.438                 -0.305
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.04   0.01     0.01   0.03  -0.01     0.03   0.02  -0.00
     2   6    -0.02   0.07  -0.05     0.01  -0.02   0.02    -0.01  -0.01   0.03
     3   6     0.02  -0.01   0.01    -0.01   0.03  -0.02    -0.01   0.02  -0.02
     4   6    -0.02   0.03  -0.03     0.07  -0.09   0.07     0.01  -0.06   0.05
     5   6    -0.02  -0.03   0.01     0.03   0.04  -0.01     0.02   0.02  -0.01
     6   6     0.02  -0.03   0.02    -0.04   0.00  -0.02    -0.02   0.01  -0.02
     7   6     0.01  -0.04   0.03     0.00  -0.00  -0.00     0.06  -0.02  -0.03
     8   6     0.01   0.09  -0.04    -0.00   0.01  -0.01    -0.06   0.02   0.03
     9   6    -0.05  -0.03   0.00    -0.01  -0.00  -0.00     0.03  -0.01  -0.01
    10   6     0.05  -0.03   0.02     0.01  -0.00   0.00     0.03  -0.01  -0.00
    11   6     0.03  -0.01   0.01    -0.16   0.01  -0.01    -0.03  -0.02  -0.08
    12   6    -0.01  -0.00  -0.00     0.02   0.04   0.06     0.05  -0.07  -0.07
    13   8     0.00   0.00   0.00    -0.02  -0.05   0.01     0.00   0.05  -0.00
    14   8    -0.00  -0.00   0.00     0.02   0.03  -0.03    -0.03  -0.02   0.04
    15   1    -0.06  -0.06   0.01    -0.21  -0.09  -0.03    -0.11  -0.05  -0.00
    16   1     0.03  -0.01   0.02    -0.21   0.13  -0.17    -0.10   0.06  -0.07
    17   1     0.06   0.02   0.02     0.10   0.07  -0.02     0.09   0.07   0.01
    18   1     0.15  -0.10   0.11     0.04  -0.04   0.04     0.06  -0.02   0.05
    19   1     0.52  -0.14  -0.18     0.11  -0.03  -0.02    -0.17   0.03   0.07
    20   1    -0.43   0.17   0.16    -0.17   0.03   0.03    -0.29   0.08   0.06
    21   1     0.05   0.42  -0.23     0.01   0.10  -0.06     0.09  -0.08  -0.24
    22   1     0.05  -0.08  -0.02     0.01  -0.00  -0.00    -0.07   0.03   0.01
    23   1     0.02  -0.18  -0.07     0.00  -0.03  -0.01    -0.02   0.06   0.05
    24   1     0.02   0.09   0.01     0.01   0.02   0.00    -0.02  -0.05  -0.02
    25   1    -0.05  -0.02   0.18    -0.01  -0.01   0.03    -0.03  -0.00   0.10
    26   1    -0.07  -0.01   0.08    -0.01   0.00   0.01    -0.08   0.01   0.01
    27   1    -0.00   0.05  -0.10    -0.00   0.00  -0.02    -0.02   0.02  -0.08
    28   1    -0.01  -0.01   0.02     0.62   0.12  -0.16     0.03   0.28   0.46
    29   6    -0.01   0.00  -0.00     0.05  -0.00   0.01     0.02  -0.03   0.05
    30   1    -0.00   0.02   0.01     0.05  -0.46  -0.09    -0.08   0.53   0.10
    31   1     0.02   0.02   0.01    -0.14  -0.06  -0.03    -0.03  -0.11  -0.08
    32   1    -0.00  -0.03  -0.02     0.00   0.09   0.11     0.03   0.15   0.01
    33   1     0.02   0.00   0.02    -0.10  -0.03  -0.12    -0.05   0.13   0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1310.0898              1349.6116              1366.2049
 Red. masses --      1.5531                 2.2396                 1.4467
 Frc consts  --      1.5705                 2.4034                 1.5909
 IR Inten    --     12.3148                 0.1856                 0.1539
 RamAct Fr= 1--     35.7505                 2.1450                 1.4212
  Dep-P Fr= 1--      0.3375                 0.5915                 0.5524
  Dep-U Fr= 1--      0.5047                 0.7433                 0.7117
 Alpha2 Fr= 1--      0.3267                 0.0063                 0.0054
 Beta2  Fr= 1--      3.0070                 0.2657                 0.1686
 AlphaG Fr= 1--      0.1458                -0.0011                -0.0100
 Gamma2 Fr= 1--     -5.1313                -1.3814                 2.2861
 Delta2 Fr= 1--     -3.0259                -1.7575                 1.7246
 Raman1 Fr= 1--     143.002                  8.580                  5.685
 ROA1   Fr= 1--    -589.438               -188.855                274.656
 CID1   Fr= 1--      -4.122                -22.012                 48.315
 Raman2 Fr= 1--      36.084                  3.189                  2.023
 ROA2   Fr= 1--     -98.945                -19.093                 41.070
 CID2   Fr= 1--      -2.742                 -5.988                 20.303
 Raman3 Fr= 1--      72.168                  6.377                  4.046
 ROA3   Fr= 1--    -589.438               -188.855                274.656
 CID3   Fr= 1--      -8.168                -29.613                 67.889
 RC180  Fr= 1--       0.009                  0.487                  0.423
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02   0.00    -0.09  -0.05  -0.00    -0.08  -0.03  -0.01
     2   6     0.02  -0.03  -0.02     0.02   0.16  -0.09    -0.00  -0.02   0.01
     3   6    -0.01   0.01  -0.01     0.11  -0.05   0.07     0.02  -0.00   0.01
     4   6     0.01  -0.04   0.03     0.03   0.07  -0.03     0.03   0.10  -0.04
     5   6     0.01   0.01  -0.00    -0.12  -0.07  -0.01    -0.01   0.00  -0.01
     6   6    -0.02   0.01  -0.01     0.07  -0.04   0.05     0.06  -0.03   0.04
     7   6    -0.10   0.04   0.05    -0.00  -0.04   0.02     0.00   0.02  -0.01
     8   6     0.11  -0.04  -0.05     0.01   0.06  -0.03    -0.00  -0.04   0.02
     9   6    -0.06   0.01   0.01     0.03  -0.00   0.02    -0.01   0.01  -0.01
    10   6    -0.05   0.01   0.01    -0.03  -0.01  -0.01     0.01   0.01   0.00
    11   6    -0.02  -0.01  -0.04    -0.04  -0.03  -0.03    -0.05  -0.04  -0.05
    12   6     0.03  -0.03  -0.04     0.01   0.00   0.00    -0.00   0.01   0.02
    13   8     0.00   0.03  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    14   8    -0.02  -0.01   0.02    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    15   1    -0.05  -0.03  -0.03    -0.14  -0.08  -0.01     0.36   0.21   0.01
    16   1    -0.06   0.04  -0.05    -0.28   0.14  -0.20     0.22  -0.09   0.15
    17   1     0.04   0.03  -0.00     0.28   0.17   0.03    -0.29  -0.15  -0.02
    18   1     0.05  -0.04   0.01     0.11  -0.06   0.08    -0.35   0.17  -0.23
    19   1     0.45  -0.08  -0.13    -0.24   0.04  -0.05     0.01   0.01   0.03
    20   1     0.37  -0.14  -0.08     0.25   0.02   0.02    -0.01  -0.03  -0.03
    21   1    -0.16   0.26   0.38    -0.05  -0.46   0.25     0.03   0.23  -0.12
    22   1     0.13  -0.04  -0.02    -0.05  -0.08  -0.02     0.03   0.04   0.01
    23   1     0.03  -0.14  -0.09     0.03   0.06  -0.01    -0.02  -0.02   0.01
    24   1     0.04   0.12   0.05    -0.05  -0.05  -0.06     0.03   0.02   0.04
    25   1     0.05  -0.01  -0.15    -0.01   0.04  -0.04     0.01  -0.02   0.01
    26   1     0.13  -0.02  -0.03     0.04  -0.03   0.08    -0.02   0.02  -0.05
    27   1     0.02  -0.03   0.12     0.05   0.01   0.08    -0.03  -0.02  -0.04
    28   1     0.02   0.15   0.25     0.26   0.17   0.19     0.39   0.25   0.29
    29   6     0.01  -0.02   0.03     0.01  -0.00   0.02     0.02  -0.02   0.02
    30   1    -0.04   0.29   0.05    -0.01   0.02   0.00    -0.00  -0.03  -0.01
    31   1    -0.02  -0.06  -0.05    -0.05  -0.05  -0.04    -0.04  -0.05  -0.02
    32   1     0.01   0.08   0.01     0.01   0.02   0.01     0.01   0.08   0.02
    33   1    -0.03   0.07  -0.00    -0.03   0.03  -0.01    -0.05   0.08  -0.02
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1375.3121              1388.0537              1392.6155
 Red. masses --      1.3987                 1.3537                 1.9977
 Frc consts  --      1.5588                 1.5366                 2.2826
 IR Inten    --      0.5105                 9.5340                45.3389
 RamAct Fr= 1--      1.6731                13.5329                 5.5819
  Dep-P Fr= 1--      0.7500                 0.3871                 0.7458
  Dep-U Fr= 1--      0.8571                 0.5582                 0.8544
 Alpha2 Fr= 1--      0.0000                 0.1049                 0.0004
 Beta2  Fr= 1--      0.2390                 1.2589                 0.7949
 AlphaG Fr= 1--      0.0001                 0.0354                 0.0118
 Gamma2 Fr= 1--     -0.1080                -0.1917                 2.3013
 Delta2 Fr= 1--     -0.1714                -0.3523                -1.5622
 Raman1 Fr= 1--       6.692                 54.131                 22.327
 ROA1   Fr= 1--     -15.855                -29.673                170.939
 CID1   Fr= 1--      -2.369                 -0.548                  7.656
 Raman2 Fr= 1--       2.868                 15.107                  9.538
 ROA2   Fr= 1--      -1.221                 -1.781                 67.729
 CID2   Fr= 1--      -0.426                 -0.118                  7.101
 Raman3 Fr= 1--       5.736                 30.214                 19.077
 ROA3   Fr= 1--     -15.855                -29.673                170.939
 CID3   Fr= 1--      -2.764                 -0.982                  8.961
 RC180  Fr= 1--       0.714                  0.116                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00  -0.00    -0.02  -0.01  -0.00     0.03   0.01   0.00
     2   6     0.01   0.05  -0.03    -0.04   0.00  -0.01    -0.00   0.00   0.00
     3   6     0.04  -0.02   0.03     0.01   0.01  -0.00    -0.01  -0.00  -0.00
     4   6    -0.00  -0.01   0.00     0.00   0.00  -0.00    -0.01  -0.01   0.02
     5   6    -0.05  -0.03  -0.00     0.01  -0.01   0.01     0.02   0.00   0.00
     6   6     0.01   0.00   0.00    -0.01   0.01  -0.01    -0.03   0.01  -0.02
     7   6     0.00   0.01  -0.01     0.12  -0.01   0.01     0.01  -0.00   0.00
     8   6    -0.02  -0.13   0.07     0.03  -0.05  -0.09     0.00  -0.00  -0.01
     9   6    -0.03  -0.00  -0.04    -0.03  -0.02   0.01    -0.00  -0.01  -0.00
    10   6     0.03   0.02   0.03    -0.02   0.02  -0.02    -0.00   0.00   0.00
    11   6     0.01   0.01   0.01    -0.01   0.00   0.01     0.09  -0.04  -0.14
    12   6     0.00  -0.00  -0.00     0.01  -0.01  -0.01    -0.12   0.13   0.13
    13   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.01  -0.03  -0.01
    14   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.03  -0.01  -0.05
    15   1    -0.13  -0.07  -0.01     0.05   0.03   0.01    -0.11  -0.07  -0.00
    16   1    -0.17   0.08  -0.12     0.05  -0.01   0.02    -0.02   0.00   0.00
    17   1     0.20   0.12   0.02     0.05   0.01   0.01     0.01   0.01   0.03
    18   1     0.12  -0.05   0.08     0.04  -0.02   0.04     0.08  -0.05   0.06
    19   1    -0.27   0.07   0.08    -0.35   0.09   0.22    -0.03   0.01   0.01
    20   1     0.28  -0.08  -0.07    -0.33   0.20   0.16    -0.01   0.02   0.01
    21   1     0.07   0.58  -0.32    -0.34   0.32   0.52    -0.02   0.02   0.04
    22   1     0.07   0.19   0.06     0.07   0.09   0.06     0.00   0.02   0.01
    23   1    -0.08   0.03   0.05     0.00   0.08  -0.08    -0.01   0.03  -0.00
    24   1     0.13   0.12   0.09     0.04   0.16  -0.03     0.01   0.03  -0.01
    25   1     0.08  -0.04  -0.05    -0.02  -0.11   0.02     0.00  -0.00  -0.01
    26   1    -0.04   0.06  -0.20     0.06  -0.02   0.12     0.01  -0.00  -0.00
    27   1    -0.11   0.01  -0.16     0.01  -0.11   0.12    -0.00   0.00  -0.00
    28   1    -0.07  -0.04  -0.05     0.01  -0.01  -0.03    -0.40   0.25   0.60
    29   6    -0.00   0.01  -0.00     0.00  -0.00  -0.00    -0.01  -0.01   0.06
    30   1     0.00   0.01   0.00    -0.00   0.02   0.00     0.06  -0.43  -0.09
    31   1     0.00   0.00  -0.01    -0.01   0.01   0.01     0.12  -0.10  -0.16
    32   1    -0.00  -0.03  -0.01    -0.00  -0.00   0.01     0.08   0.08  -0.16
    33   1     0.01  -0.03   0.00     0.00   0.00  -0.00    -0.07  -0.00   0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1405.0844              1415.9062              1424.7616
 Red. masses --      1.2792                 1.2215                 1.2489
 Frc consts  --      1.4880                 1.4428                 1.4937
 IR Inten    --      8.5611                11.1142                 7.6617
 RamAct Fr= 1--      0.0335                 1.4490                 2.8787
  Dep-P Fr= 1--      0.7164                 0.5271                 0.5179
  Dep-U Fr= 1--      0.8347                 0.6903                 0.6824
 Alpha2 Fr= 1--      0.0000                 0.0063                 0.0130
 Beta2  Fr= 1--      0.0047                 0.1667                 0.3274
 AlphaG Fr= 1--      0.0002                 0.0119                 0.0037
 Gamma2 Fr= 1--     -0.0409                -0.0884                 0.0647
 Delta2 Fr= 1--     -0.0248                 0.1295                -0.0048
 Raman1 Fr= 1--       0.134                  5.796                 11.515
 ROA1   Fr= 1--      -4.716                 -4.341                  6.054
 CID1   Fr= 1--     -35.175                 -0.749                  0.526
 Raman2 Fr= 1--       0.056                  2.001                  3.929
 ROA2   Fr= 1--      -0.782                 -3.157                  1.591
 CID2   Fr= 1--     -13.968                 -1.578                  0.405
 Raman3 Fr= 1--       0.112                  4.001                  7.857
 ROA3   Fr= 1--      -4.716                 -4.341                  6.054
 CID3   Fr= 1--     -42.139                 -1.085                  0.771
 RC180  Fr= 1--       0.669                  0.381                  0.365
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.01   0.00   0.00     0.00   0.00   0.00
     2   6    -0.00  -0.00   0.00     0.00   0.01  -0.01     0.01  -0.00  -0.00
     3   6    -0.01   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     4   6     0.00   0.01  -0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
     5   6     0.01   0.00   0.00     0.01   0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00    -0.01  -0.00  -0.00     0.00  -0.00   0.00
     7   6    -0.00  -0.01   0.00    -0.00  -0.00   0.00    -0.04   0.00  -0.00
     8   6     0.01   0.05  -0.03    -0.00  -0.00   0.00    -0.00   0.01   0.03
     9   6    -0.01  -0.10   0.00     0.00   0.00  -0.00    -0.01  -0.10  -0.02
    10   6    -0.01  -0.06   0.09     0.00   0.00  -0.00     0.01   0.04  -0.09
    11   6    -0.00  -0.00   0.00     0.01  -0.00  -0.01    -0.00   0.00   0.00
    12   6     0.00  -0.00  -0.00    -0.01   0.02   0.01     0.00  -0.00  -0.00
    13   8    -0.00   0.00   0.00    -0.00  -0.01   0.00    -0.00   0.00   0.00
    14   8    -0.00   0.00   0.00     0.01  -0.00  -0.01    -0.00   0.00   0.00
    15   1     0.02   0.01   0.00    -0.04  -0.02  -0.00    -0.01  -0.01  -0.00
    16   1     0.03  -0.02   0.02    -0.03   0.00  -0.03    -0.01   0.00  -0.01
    17   1    -0.04  -0.03  -0.00    -0.01  -0.01   0.00    -0.01  -0.00  -0.00
    18   1    -0.02   0.00  -0.01     0.02  -0.02   0.02    -0.01   0.00  -0.01
    19   1     0.06  -0.02  -0.03    -0.02   0.00  -0.00     0.13  -0.04  -0.01
    20   1    -0.07   0.03   0.03     0.02  -0.00  -0.00     0.13  -0.02  -0.03
    21   1    -0.02  -0.14   0.08     0.00   0.01  -0.00     0.08  -0.07  -0.11
    22   1     0.03   0.30   0.20    -0.00  -0.01  -0.01     0.03   0.32   0.20
    23   1    -0.07   0.40  -0.06     0.00  -0.01   0.00    -0.12   0.39   0.01
    24   1     0.15   0.35  -0.09    -0.00  -0.01   0.00     0.20   0.34  -0.02
    25   1     0.16   0.25  -0.30    -0.00  -0.01   0.00    -0.19  -0.17   0.31
    26   1     0.01   0.00  -0.38     0.00   0.00   0.01    -0.00  -0.01   0.37
    27   1    -0.08   0.29  -0.26    -0.00  -0.01   0.00     0.14  -0.23   0.28
    28   1     0.03   0.00  -0.00    -0.04   0.01   0.04     0.00  -0.00  -0.00
    29   6     0.00  -0.00  -0.00    -0.01  -0.10  -0.08    -0.00  -0.00  -0.00
    30   1    -0.00   0.01   0.00     0.01  -0.05  -0.01    -0.00   0.00   0.00
    31   1    -0.00   0.01   0.02     0.06   0.25   0.52     0.00   0.00   0.00
    32   1    -0.01   0.01   0.01    -0.16   0.42   0.29    -0.00   0.00   0.00
    33   1     0.00   0.02   0.00     0.19   0.52   0.19     0.00   0.00   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1460.7849              1489.2183              1489.5912
 Red. masses --      2.4743                 1.0410                 1.0974
 Frc consts  --      3.1109                 1.3602                 1.4347
 IR Inten    --      9.2358                 2.7282                 3.3831
 RamAct Fr= 1--      0.2315                 9.1511                14.5708
  Dep-P Fr= 1--      0.3829                 0.7500                 0.7166
  Dep-U Fr= 1--      0.5537                 0.8571                 0.8349
 Alpha2 Fr= 1--      0.0018                 0.0000                 0.0084
 Beta2  Fr= 1--      0.0214                 1.3073                 2.0275
 AlphaG Fr= 1--     -0.0381                -0.0005                 0.0081
 Gamma2 Fr= 1--     -0.1930                -0.0979                 0.9891
 Delta2 Fr= 1--      0.5023                 0.4226                -0.2257
 Raman1 Fr= 1--       0.926                 36.604                 58.283
 ROA1   Fr= 1--      -2.457                  4.120                 87.735
 CID1   Fr= 1--      -2.653                  0.113                  1.505
 Raman2 Fr= 1--       0.256                 15.687                 24.330
 ROA2   Fr= 1--      -8.651                 -5.731                 25.545
 CID2   Fr= 1--     -33.742                 -0.365                  1.050
 Raman3 Fr= 1--       0.513                 31.375                 48.661
 ROA3   Fr= 1--      -2.457                  4.120                 87.735
 CID3   Fr= 1--      -4.791                  0.131                  1.803
 RC180  Fr= 1--       0.107                  0.714                  0.670
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.12  -0.02   0.06     0.00  -0.00   0.00     0.00   0.00   0.00
     2   6     0.02   0.13  -0.07    -0.00   0.00  -0.00     0.01  -0.00  -0.00
     3   6    -0.13  -0.04  -0.03    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.01   0.13  -0.07    -0.00  -0.00   0.00     0.00   0.00   0.00
     5   6     0.13  -0.01   0.06     0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.13  -0.04  -0.03    -0.00  -0.00   0.00     0.00  -0.00   0.00
     7   6    -0.00  -0.03   0.02     0.00   0.00   0.00    -0.05  -0.03  -0.06
     8   6    -0.00  -0.01   0.01     0.00   0.01  -0.00     0.01   0.00   0.01
     9   6     0.00   0.01  -0.01    -0.04   0.00  -0.00     0.01   0.00   0.01
    10   6     0.00   0.01  -0.00     0.04  -0.00   0.00     0.01   0.01   0.01
    11   6    -0.04  -0.04   0.02    -0.00   0.00   0.00    -0.00  -0.00   0.00
    12   6     0.01  -0.01  -0.01     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    13   8    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    14   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   1    -0.27  -0.26   0.04    -0.01  -0.00   0.00    -0.02  -0.01   0.00
    16   1     0.23  -0.23   0.23     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    17   1    -0.30  -0.28   0.03    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   1     0.21  -0.22   0.21     0.01  -0.01   0.00    -0.02   0.01  -0.01
    19   1    -0.21   0.03  -0.03    -0.01   0.01  -0.04     0.17  -0.16   0.59
    20   1     0.22  -0.01   0.01    -0.02  -0.03  -0.01     0.25   0.54   0.21
    21   1     0.00   0.02  -0.01    -0.01  -0.06   0.04     0.03  -0.02  -0.02
    22   1    -0.03  -0.03  -0.02     0.48  -0.11  -0.05    -0.07   0.07   0.04
    23   1    -0.03  -0.01   0.07     0.01   0.27  -0.17     0.08  -0.10  -0.08
    24   1     0.03   0.00   0.04     0.08  -0.23   0.30    -0.11   0.01  -0.15
    25   1     0.02  -0.07  -0.02     0.05   0.29  -0.12     0.09  -0.00  -0.14
    26   1     0.02  -0.00   0.04    -0.48   0.07   0.06    -0.14   0.02   0.09
    27   1    -0.04  -0.02  -0.03    -0.14  -0.35   0.03    -0.14  -0.16  -0.08
    28   1     0.34   0.08   0.06    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    29   6     0.01   0.01   0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    30   1    -0.01   0.04   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    31   1    -0.08  -0.03  -0.03     0.01   0.00  -0.00    -0.00   0.00   0.01
    32   1     0.01  -0.07   0.01    -0.00   0.00   0.00     0.00  -0.00  -0.01
    33   1    -0.03  -0.00  -0.02     0.00  -0.01   0.00    -0.01   0.01  -0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1492.2174              1497.4136              1498.9480
 Red. masses --      1.0466                 1.0567                 1.0549
 Frc consts  --      1.3731                 1.3960                 1.3964
 IR Inten    --      4.6715                 0.0938                 8.8653
 RamAct Fr= 1--      5.0156                 0.6224                 5.3684
  Dep-P Fr= 1--      0.6074                 0.7393                 0.6085
  Dep-U Fr= 1--      0.7557                 0.8501                 0.7566
 Alpha2 Fr= 1--      0.0132                 0.0001                 0.0140
 Beta2  Fr= 1--      0.6317                 0.0882                 0.6770
 AlphaG Fr= 1--     -0.0049                 0.0060                 0.0952
 Gamma2 Fr= 1--     -0.9829                -0.4106                 1.6735
 Delta2 Fr= 1--     -1.4408                -0.2623                 1.9090
 Raman1 Fr= 1--      20.063                  2.490                 21.474
 ROA1   Fr= 1--    -140.458                -47.814                221.746
 CID1   Fr= 1--      -7.001                -19.204                 10.326
 Raman2 Fr= 1--       7.581                  1.058                  8.124
 ROA2   Fr= 1--     -12.062                 -7.756                 24.892
 CID2   Fr= 1--      -1.591                 -7.329                  3.064
 Raman3 Fr= 1--      15.162                  2.117                 16.247
 ROA3   Fr= 1--    -140.458                -47.814                221.746
 CID3   Fr= 1--      -9.264                -22.590                 13.648
 RC180  Fr= 1--       0.511                  0.700                  0.513
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.01  -0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.01  -0.00  -0.00    -0.00  -0.01   0.00     0.00   0.01  -0.01
     3   6     0.01  -0.00   0.01     0.01   0.00   0.00    -0.00  -0.00   0.00
     4   6     0.00   0.00  -0.00    -0.00  -0.01   0.00     0.01   0.00  -0.00
     5   6     0.01   0.01   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00     0.01  -0.00   0.00    -0.00  -0.00   0.00
     7   6     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     8   6     0.00  -0.00  -0.00     0.00   0.03  -0.02    -0.00  -0.00   0.00
     9   6     0.00  -0.00   0.00     0.01  -0.00  -0.04    -0.00   0.00   0.00
    10   6    -0.00   0.00   0.00    -0.00   0.03   0.02     0.00  -0.00  -0.00
    11   6    -0.02   0.01  -0.01    -0.00   0.00   0.00    -0.03  -0.01   0.02
    12   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.01  -0.01  -0.01
    13   8     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.01  -0.00
    14   8     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    15   1    -0.02  -0.01  -0.00     0.02   0.01  -0.00    -0.01  -0.01   0.00
    16   1    -0.01   0.00  -0.01    -0.00   0.01  -0.01    -0.00  -0.01  -0.01
    17   1    -0.03  -0.02  -0.00     0.01   0.01  -0.00    -0.01  -0.01  -0.00
    18   1    -0.02   0.00  -0.01    -0.02   0.01  -0.01    -0.00  -0.01   0.00
    19   1     0.00  -0.00   0.01     0.05  -0.01  -0.02    -0.01   0.00   0.00
    20   1     0.00   0.01   0.00    -0.05   0.01   0.01     0.01  -0.00  -0.00
    21   1    -0.00   0.00   0.00    -0.01  -0.07   0.04     0.00   0.01  -0.00
    22   1    -0.01   0.00   0.00    -0.13  -0.21  -0.13     0.01   0.02   0.01
    23   1     0.00  -0.01   0.00    -0.24   0.08   0.41     0.03  -0.01  -0.04
    24   1    -0.00   0.01  -0.01     0.28   0.09   0.28    -0.03  -0.01  -0.03
    25   1     0.00  -0.00  -0.00     0.21  -0.34  -0.27    -0.02   0.03   0.03
    26   1    -0.00   0.00   0.00     0.10  -0.03   0.26    -0.01   0.00  -0.03
    27   1    -0.00  -0.00  -0.00    -0.29  -0.14  -0.26     0.03   0.02   0.03
    28   1     0.04   0.05   0.03    -0.01  -0.01  -0.01     0.06  -0.04  -0.06
    29   6    -0.04   0.02  -0.03    -0.00  -0.00   0.00    -0.03  -0.03   0.03
    30   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.02   0.00
    31   1     0.36  -0.09  -0.36     0.06   0.02   0.01     0.59   0.17   0.12
    32   1    -0.20   0.16   0.41     0.01   0.05  -0.04     0.13   0.51  -0.39
    33   1     0.47  -0.38   0.35    -0.02  -0.03  -0.02    -0.21  -0.28  -0.18
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1508.6307              1512.3877              1551.9464
 Red. masses --      1.0508                 1.0555                 2.4288
 Frc consts  --      1.4091                 1.4224                 3.4467
 IR Inten    --     11.7303                10.5501                22.5853
 RamAct Fr= 1--      0.9772                 3.4704                 0.9697
  Dep-P Fr= 1--      0.6223                 0.6823                 0.7497
  Dep-U Fr= 1--      0.7672                 0.8112                 0.8570
 Alpha2 Fr= 1--      0.0023                 0.0041                 0.0000
 Beta2  Fr= 1--      0.1249                 0.4692                 0.1385
 AlphaG Fr= 1--     -0.0025                -0.0012                -0.0004
 Gamma2 Fr= 1--      0.0855                 0.0249                -0.6250
 Delta2 Fr= 1--      0.0109                -0.0602                -0.2023
 Raman1 Fr= 1--       3.909                 13.882                  3.879
 ROA1   Fr= 1--       8.552                  0.464                -66.473
 CID1   Fr= 1--       2.188                  0.033                -17.138
 Raman2 Fr= 1--       1.499                  5.630                  1.662
 ROA2   Fr= 1--       1.964                  1.079                -13.381
 CID2   Fr= 1--       1.310                  0.192                 -8.051
 Raman3 Fr= 1--       2.999                 11.260                  3.324
 ROA3   Fr= 1--       8.552                  0.464                -66.473
 CID3   Fr= 1--       2.852                  0.041                -19.999
 RC180  Fr= 1--       0.534                  0.622                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.10  -0.10   0.02
     2   6     0.01  -0.00  -0.00     0.00  -0.00  -0.00     0.15   0.01   0.05
     3   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.08   0.08  -0.08
     4   6     0.00   0.00   0.00     0.00   0.00   0.00     0.15   0.01   0.05
     5   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.10  -0.10   0.01
     6   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.08   0.08  -0.08
     7   6    -0.01  -0.01  -0.03    -0.01  -0.00  -0.00    -0.03  -0.00  -0.01
     8   6    -0.02  -0.00  -0.01     0.03  -0.02  -0.03    -0.00   0.00   0.01
     9   6    -0.02   0.01  -0.02     0.02   0.01  -0.02     0.00  -0.00   0.00
    10   6    -0.03  -0.02  -0.00     0.02  -0.03  -0.00     0.00   0.00  -0.00
    11   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.03  -0.00  -0.01
    12   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.01   0.01
    13   8     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    14   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    15   1    -0.00   0.00   0.00     0.02   0.00  -0.01     0.42   0.18   0.06
    16   1     0.01  -0.00   0.01     0.01  -0.00   0.00     0.40  -0.14   0.25
    17   1     0.01   0.00   0.00     0.01   0.00   0.00     0.40   0.18   0.06
    18   1    -0.00   0.00   0.00     0.01  -0.01  -0.00     0.37  -0.13   0.21
    19   1     0.04  -0.06   0.26     0.01  -0.01   0.08    -0.03   0.00  -0.03
    20   1     0.08   0.24   0.10     0.02   0.07   0.03    -0.03  -0.02  -0.02
    21   1    -0.01  -0.03  -0.05    -0.03   0.04   0.06     0.02  -0.02  -0.04
    22   1     0.32  -0.21  -0.12    -0.36  -0.14  -0.10    -0.01   0.02   0.01
    23   1    -0.10   0.24   0.06    -0.20  -0.11   0.43     0.01  -0.01  -0.02
    24   1     0.18  -0.17   0.38     0.19   0.21   0.08    -0.02  -0.00  -0.02
    25   1    -0.13  -0.06   0.22    -0.13   0.45   0.13     0.01  -0.01  -0.01
    26   1     0.33  -0.05  -0.20    -0.34   0.06  -0.21    -0.01   0.00   0.02
    27   1     0.24   0.36   0.09     0.16  -0.07   0.24    -0.02  -0.01  -0.02
    28   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.04  -0.00  -0.00
    29   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    30   1     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.01  -0.00
    31   1     0.00  -0.00  -0.00     0.00   0.00   0.00     0.04  -0.00  -0.02
    32   1    -0.00   0.00   0.01     0.00   0.00  -0.00    -0.02   0.04   0.04
    33   1     0.01  -0.00   0.00    -0.00   0.00  -0.00     0.05  -0.03   0.03
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1617.4647              1658.2126              1805.7505
 Red. masses --      5.9912                 5.7772                 9.5433
 Frc consts  --      9.2349                 9.3594                18.3343
 IR Inten    --      0.1330                 1.1490               270.6210
 RamAct Fr= 1--      1.8177               170.5878                23.8375
  Dep-P Fr= 1--      0.7107                 0.4551                 0.1798
  Dep-U Fr= 1--      0.8309                 0.6255                 0.3048
 Alpha2 Fr= 1--      0.0012                 1.0245                 0.3414
 Beta2  Fr= 1--      0.2517                17.7839                 1.2109
 AlphaG Fr= 1--      0.0209                -0.0239                -0.5818
 Gamma2 Fr= 1--      0.2663                 3.3718                -2.2310
 Delta2 Fr= 1--      0.0398                 0.2805                 1.2326
 Raman1 Fr= 1--       7.271                682.351                 95.350
 ROA1   Fr= 1--      26.841                332.666               -174.732
 CID1   Fr= 1--       3.692                  0.488                 -1.833
 Raman2 Fr= 1--       3.021                213.407                 14.531
 ROA2   Fr= 1--       6.073                 78.678                -63.404
 CID2   Fr= 1--       2.011                  0.369                 -4.363
 Raman3 Fr= 1--       6.041                426.813                 29.062
 ROA3   Fr= 1--      26.841                332.666               -174.732
 CID3   Fr= 1--       4.443                  0.779                 -6.012
 RC180  Fr= 1--       0.662                  0.251                 -0.390
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11   0.18  -0.07     0.28   0.09   0.06    -0.01  -0.01   0.00
     2   6    -0.03  -0.30   0.16    -0.20  -0.01  -0.07     0.00   0.00  -0.00
     3   6     0.07  -0.17   0.13    -0.26   0.05  -0.13     0.01   0.00   0.00
     4   6     0.04   0.31  -0.16     0.18   0.02   0.06    -0.02  -0.01  -0.01
     5   6    -0.11  -0.19   0.07    -0.27  -0.09  -0.06     0.01   0.01   0.00
     6   6    -0.08   0.18  -0.13     0.26  -0.05   0.13    -0.01  -0.00  -0.00
     7   6     0.00   0.03  -0.02     0.03   0.00   0.01    -0.00  -0.00  -0.00
     8   6     0.00   0.01  -0.00     0.01  -0.00  -0.01    -0.00   0.00   0.00
     9   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    10   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    11   6    -0.02  -0.04   0.02    -0.02  -0.00  -0.01    -0.02  -0.04   0.04
    12   6     0.00   0.00  -0.01    -0.00   0.02   0.00     0.27   0.57  -0.32
    13   8    -0.00  -0.00   0.00    -0.00  -0.01   0.00    -0.15  -0.38   0.18
    14   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.02  -0.05   0.02
    15   1    -0.28  -0.03  -0.09    -0.29  -0.24   0.03     0.01   0.01   0.00
    16   1    -0.28  -0.02  -0.11     0.25  -0.21   0.23     0.03  -0.01  -0.01
    17   1     0.29   0.03   0.10     0.27   0.22  -0.02    -0.02  -0.01   0.00
    18   1     0.30   0.01   0.11    -0.24   0.20  -0.20     0.00  -0.01   0.01
    19   1     0.20  -0.03   0.04     0.02   0.01  -0.01    -0.00  -0.00   0.00
    20   1    -0.21  -0.01  -0.01     0.02  -0.01   0.00     0.00   0.00   0.00
    21   1    -0.00  -0.01   0.01    -0.01   0.02   0.03     0.00  -0.00  -0.00
    22   1     0.01  -0.01  -0.01    -0.00  -0.01  -0.00     0.00   0.00   0.00
    23   1    -0.01   0.01   0.01    -0.01   0.00   0.01    -0.00   0.00   0.00
    24   1     0.01  -0.00   0.01     0.01   0.01   0.01     0.00  -0.00   0.00
    25   1     0.01  -0.01  -0.01    -0.01   0.01   0.00    -0.00   0.00   0.00
    26   1    -0.01   0.00   0.01    -0.00   0.00  -0.01    -0.00   0.00   0.00
    27   1    -0.01  -0.01  -0.01     0.01  -0.00   0.01     0.00   0.00   0.00
    28   1     0.27   0.06   0.06    -0.02   0.00   0.01    -0.18   0.00   0.15
    29   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.01   0.00
    30   1    -0.00   0.02   0.00     0.00   0.01   0.00    -0.05   0.46   0.08
    31   1     0.01   0.01   0.02     0.02   0.00   0.00     0.04   0.00  -0.05
    32   1     0.01   0.01  -0.02    -0.01   0.02   0.02     0.03   0.01  -0.03
    33   1    -0.02  -0.00  -0.01     0.02   0.00   0.01    -0.02  -0.11  -0.04
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3002.8966              3025.8887              3027.4261
 Red. masses --      1.0816                 1.0345                 1.0482
 Frc consts  --      5.7464                 5.5808                 5.6602
 IR Inten    --     21.4644                34.6048                41.8840
 RamAct Fr= 1--    147.7161                14.8115                59.7138
  Dep-P Fr= 1--      0.4500                 0.6964                 0.5893
  Dep-U Fr= 1--      0.6206                 0.8210                 0.7416
 Alpha2 Fr= 1--      0.9057                 0.0139                 0.1789
 Beta2  Fr= 1--     15.2800                 2.0267                 7.3807
 AlphaG Fr= 1--      0.0093                -0.0133                 0.1053
 Gamma2 Fr= 1--     -0.6112                 1.0595                -3.4497
 Delta2 Fr= 1--      1.3279                -1.0442                 0.9389
 Raman1 Fr= 1--     590.865                 59.246                238.855
 ROA1   Fr= 1--     -16.184                 68.297               -301.122
 CID1   Fr= 1--      -0.027                  1.153                 -1.261
 Raman2 Fr= 1--     183.360                 24.321                 88.569
 ROA2   Fr= 1--     -25.292                 33.782                -90.303
 CID2   Fr= 1--      -0.138                  1.389                 -1.020
 Raman3 Fr= 1--     366.719                 48.642                177.137
 ROA3   Fr= 1--     -16.184                 68.297               -301.122
 CID3   Fr= 1--      -0.044                  1.404                 -1.700
 RC180  Fr= 1--       0.241                  0.642                  0.483
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     3   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     7   6     0.00   0.01   0.02     0.00   0.00   0.00    -0.01  -0.02  -0.04
     8   6    -0.07  -0.01  -0.04     0.00   0.00   0.00    -0.01  -0.00  -0.01
     9   6     0.01  -0.00   0.00    -0.00  -0.03  -0.00    -0.00  -0.03   0.00
    10   6     0.01   0.00   0.00    -0.00  -0.02   0.03     0.00   0.01  -0.02
    11   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    12   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    13   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    15   1     0.00  -0.00   0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
    16   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    17   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    18   1     0.00   0.00  -0.00    -0.00  -0.01   0.00    -0.00  -0.00   0.00
    19   1    -0.05  -0.18  -0.02    -0.01  -0.04  -0.01     0.12   0.47   0.05
    20   1    -0.01   0.09  -0.16    -0.00   0.01  -0.02     0.04  -0.23   0.43
    21   1     0.84   0.13   0.43    -0.01  -0.00  -0.00     0.14   0.02   0.07
    22   1     0.00   0.02  -0.05     0.00   0.18  -0.36     0.00   0.17  -0.33
    23   1    -0.07  -0.01  -0.04     0.31   0.06   0.16     0.24   0.05   0.13
    24   1    -0.04   0.02   0.03    -0.27   0.14   0.20    -0.23   0.12   0.17
    25   1    -0.07  -0.01  -0.04    -0.35  -0.06  -0.19     0.17   0.03   0.10
    26   1    -0.00  -0.05  -0.01     0.08   0.47   0.06    -0.05  -0.29  -0.04
    27   1    -0.04   0.02   0.03     0.32  -0.17  -0.23    -0.18   0.10   0.13
    28   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    29   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    30   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    31   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    32   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    33   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3032.9051              3047.1764              3063.7496
 Red. masses --      1.0481                 1.0355                 1.1040
 Frc consts  --      5.6801                 5.6651                 6.1053
 IR Inten    --     18.5549                23.3992                17.9578
 RamAct Fr= 1--    565.8159               229.8703                57.2219
  Dep-P Fr= 1--      0.0122                 0.0682                 0.7499
  Dep-U Fr= 1--      0.0240                 0.1277                 0.8571
 Alpha2 Fr= 1--     12.2211                 4.3474                 0.0001
 Beta2  Fr= 1--      2.2665                 4.8910                 8.1739
 AlphaG Fr= 1--     -0.2590                -0.4222                 0.0128
 Gamma2 Fr= 1--     -0.2745                -0.4540                -0.9872
 Delta2 Fr= 1--      0.3603                 3.6917                -1.5632
 Raman1 Fr= 1--    2263.264                919.481                228.888
 ROA1   Fr= 1--     -14.819                 74.556               -144.797
 CID1   Fr= 1--      -0.007                  0.081                 -0.633
 Raman2 Fr= 1--      27.198                 58.692                 98.086
 ROA2   Fr= 1--      -9.470                -40.429                -11.188
 CID2   Fr= 1--      -0.348                 -0.689                 -0.114
 Raman3 Fr= 1--      54.396                117.384                196.173
 ROA3   Fr= 1--     -14.819                 74.556               -144.797
 CID3   Fr= 1--      -0.272                  0.635                 -0.738
 RC180  Fr= 1--      -0.952                 -0.745                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     5   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6    -0.01  -0.02  -0.04     0.00   0.00   0.00    -0.01  -0.08   0.04
     8   6    -0.01  -0.00  -0.01     0.00   0.00   0.00    -0.00  -0.00   0.00
     9   6     0.01   0.03   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.01
    10   6     0.00  -0.01   0.02    -0.00   0.00  -0.00     0.00   0.01   0.00
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    12   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    14   8    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    15   1    -0.01   0.01  -0.01     0.00  -0.00   0.00     0.01  -0.01   0.01
    16   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    17   1    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   1    -0.01  -0.01   0.00     0.00   0.00  -0.00    -0.01  -0.01   0.00
    19   1     0.11   0.45   0.05    -0.00  -0.00  -0.00     0.17   0.67   0.10
    20   1     0.03  -0.22   0.41    -0.00   0.00  -0.00    -0.05   0.31  -0.63
    21   1     0.16   0.02   0.08    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    22   1    -0.00  -0.14   0.28     0.00   0.00  -0.00    -0.00  -0.02   0.04
    23   1    -0.27  -0.05  -0.14     0.00   0.00   0.00     0.03   0.01   0.01
    24   1     0.21  -0.11  -0.15    -0.00   0.00   0.00    -0.03   0.02   0.02
    25   1    -0.26  -0.04  -0.14     0.00   0.00   0.00    -0.03  -0.00  -0.02
    26   1     0.05   0.29   0.03    -0.00  -0.00  -0.00    -0.01  -0.05  -0.01
    27   1     0.20  -0.10  -0.14    -0.00  -0.00  -0.00     0.03  -0.01  -0.02
    28   1     0.00  -0.00   0.00    -0.01   0.03  -0.02    -0.00  -0.00   0.00
    29   6    -0.00  -0.00  -0.00    -0.01  -0.03  -0.04    -0.00   0.00  -0.00
    30   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    31   1    -0.00   0.00  -0.00    -0.09   0.39  -0.22     0.00  -0.00  -0.00
    32   1     0.01   0.00   0.00     0.63   0.01   0.24     0.00   0.00   0.00
    33   1    -0.00  -0.00   0.00    -0.38  -0.07   0.43    -0.00  -0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3070.7138              3085.7857              3088.3421
 Red. masses --      1.0840                 1.1020                 1.1008
 Frc consts  --      6.0223                 6.1825                 6.1862
 IR Inten    --      6.9601                15.1808                50.7954
 RamAct Fr= 1--     68.5125                40.5246               143.7679
  Dep-P Fr= 1--      0.2038                 0.7489                 0.6929
  Dep-U Fr= 1--      0.3386                 0.8564                 0.8186
 Alpha2 Fr= 1--      0.9211                 0.0008                 0.1437
 Beta2  Fr= 1--      3.8664                 5.7842                19.6144
 AlphaG Fr= 1--     -0.4318                -0.0686                 0.1339
 Gamma2 Fr= 1--     -3.5945                 0.4870                 4.2101
 Delta2 Fr= 1--     -1.9993                -0.9665                 5.0192
 Raman1 Fr= 1--     274.050                162.099                575.072
 ROA1   Fr= 1--    -409.054                 15.824                564.779
 CID1   Fr= 1--      -1.493                  0.098                  0.982
 Raman2 Fr= 1--      46.396                 69.410                235.373
 ROA2   Fr= 1--     -70.275                 19.420                 60.888
 CID2   Fr= 1--      -1.515                  0.280                  0.259
 Raman3 Fr= 1--      92.793                138.820                470.747
 ROA3   Fr= 1--    -409.054                 15.824                564.779
 CID3   Fr= 1--      -4.408                  0.114                  1.200
 RC180  Fr= 1--      -0.323                  0.713                  0.637
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     3   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     5   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     7   6    -0.00  -0.00  -0.00    -0.00  -0.01   0.00    -0.00  -0.00  -0.00
     8   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     9   6     0.00  -0.00  -0.00    -0.03  -0.00   0.05     0.02   0.00  -0.06
    10   6     0.00   0.00   0.00     0.02  -0.06  -0.03     0.01  -0.05  -0.03
    11   6     0.02  -0.07   0.04     0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   8     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    14   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    15   1    -0.00   0.00  -0.00     0.01  -0.01   0.01    -0.00   0.01  -0.01
    16   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    17   1     0.01  -0.02   0.02    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    18   1     0.00   0.00  -0.00    -0.01  -0.01   0.00    -0.00  -0.01   0.00
    19   1     0.00   0.00   0.00     0.01   0.06   0.01     0.00   0.01   0.00
    20   1     0.00  -0.00   0.00    -0.00   0.03  -0.06     0.00  -0.01   0.02
    21   1     0.00   0.00   0.00     0.00   0.00   0.00     0.02   0.00   0.01
    22   1     0.00  -0.00   0.00    -0.00   0.21  -0.40     0.00  -0.25   0.47
    23   1    -0.00  -0.00  -0.00    -0.03  -0.01  -0.00     0.10   0.02   0.03
    24   1    -0.00   0.00   0.00     0.35  -0.18  -0.25    -0.39   0.21   0.28
    25   1    -0.00  -0.00  -0.00     0.06  -0.01   0.02     0.13   0.01   0.07
    26   1     0.00  -0.00   0.00     0.09   0.51   0.05     0.08   0.47   0.05
    27   1     0.00  -0.00  -0.00    -0.40   0.20   0.29    -0.32   0.15   0.23
    28   1    -0.21   0.84  -0.46    -0.00   0.00  -0.00     0.00  -0.00   0.00
    29   6    -0.00   0.01  -0.01    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    30   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    31   1     0.03  -0.14   0.08     0.00  -0.00   0.00    -0.00   0.00  -0.00
    32   1     0.04   0.00   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    33   1    -0.01  -0.00   0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3091.4875              3096.7217              3110.8035
 Red. masses --      1.1017                 1.1008                 1.1023
 Frc consts  --      6.2036                 6.2195                 6.2850
 IR Inten    --      7.4386                77.7085                27.5036
 RamAct Fr= 1--     12.8312                64.2826               116.6971
  Dep-P Fr= 1--      0.7403                 0.4682                 0.6611
  Dep-U Fr= 1--      0.8508                 0.6378                 0.7960
 Alpha2 Fr= 1--      0.0021                 0.3656                 0.1851
 Beta2  Fr= 1--      1.8194                 6.8332                15.4813
 AlphaG Fr= 1--      0.0539                 0.0126                 0.0996
 Gamma2 Fr= 1--     -5.4694                 2.7962                -2.6112
 Delta2 Fr= 1--     -1.4769                -1.4368                -4.2884
 Raman1 Fr= 1--      51.325                257.131                466.788
 ROA1   Fr= 1--    -572.324                222.461               -387.900
 CID1   Fr= 1--     -11.151                  0.865                 -0.831
 Raman2 Fr= 1--      21.833                 81.998                185.776
 ROA2   Fr= 1--    -119.450                 78.604                -28.360
 CID2   Fr= 1--      -5.471                  0.959                 -0.153
 Raman3 Fr= 1--      43.665                163.997                371.552
 ROA3   Fr= 1--    -572.324                222.461               -387.900
 CID3   Fr= 1--     -13.107                  1.356                 -1.044
 RC180  Fr= 1--       0.702                  0.276                  0.592
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     4   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     8   6    -0.00  -0.00  -0.00    -0.01  -0.00  -0.01     0.00   0.00   0.00
     9   6     0.06  -0.01   0.03    -0.06   0.01  -0.02     0.00  -0.00   0.00
    10   6    -0.06  -0.01  -0.01    -0.06  -0.01  -0.01     0.00   0.00   0.00
    11   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    14   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    15   1    -0.00   0.01  -0.00     0.00  -0.01   0.00     0.00  -0.00   0.00
    16   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    17   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   1     0.00   0.01  -0.00     0.00   0.01  -0.00    -0.00  -0.00   0.00
    19   1     0.01   0.03   0.00     0.00   0.02   0.00    -0.00  -0.00  -0.00
    20   1    -0.00   0.01  -0.03     0.00  -0.01   0.02    -0.00   0.00  -0.00
    21   1     0.01  -0.00   0.00     0.15   0.02   0.07    -0.00  -0.00  -0.00
    22   1     0.02   0.12  -0.23    -0.01  -0.09   0.17     0.00   0.00  -0.00
    23   1    -0.50  -0.11  -0.26     0.52   0.12   0.28    -0.00  -0.00  -0.00
    24   1    -0.18   0.10   0.15     0.26  -0.14  -0.21    -0.00   0.00   0.00
    25   1     0.52   0.08   0.30     0.47   0.07   0.27    -0.00  -0.00  -0.00
    26   1     0.02   0.23   0.02     0.02   0.17   0.02    -0.00  -0.00  -0.00
    27   1     0.23  -0.13  -0.19     0.24  -0.14  -0.20    -0.00   0.00   0.00
    28   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.01  -0.04   0.02
    29   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.09   0.01   0.01
    30   1     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    31   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.17   0.09
    32   1     0.00  -0.00   0.00     0.00   0.00   0.00     0.65   0.02   0.26
    33   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.43   0.08  -0.52
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3129.7281              3161.7791              3167.2220
 Red. masses --      1.1014                 1.0867                 1.0872
 Frc consts  --      6.3561                 6.4009                 6.4254
 IR Inten    --     12.5854                11.0243                 8.4974
 RamAct Fr= 1--     28.1923                52.3543                55.3531
  Dep-P Fr= 1--      0.6649                 0.7311                 0.6388
  Dep-U Fr= 1--      0.7987                 0.8447                 0.7796
 Alpha2 Fr= 1--      0.0427                 0.0169                 0.1112
 Beta2  Fr= 1--      3.7529                 7.3705                 7.1925
 AlphaG Fr= 1--     -0.0198                -0.0009                 0.2287
 Gamma2 Fr= 1--      0.6550                -6.0691                 4.4692
 Delta2 Fr= 1--      2.2691                 1.4388                 1.5073
 Raman1 Fr= 1--     112.769                209.417                221.412
 ROA1   Fr= 1--     135.486               -536.588                477.277
 CID1   Fr= 1--       1.201                 -2.562                  2.156
 Raman2 Fr= 1--      45.034                 88.446                 86.310
 ROA2   Fr= 1--      -2.434               -157.168                 95.203
 CID2   Fr= 1--      -0.054                 -1.777                  1.103
 Raman3 Fr= 1--      90.069                176.891                172.620
 ROA3   Fr= 1--     135.486               -536.588                477.277
 CID3   Fr= 1--       1.504                 -3.033                  2.765
 RC180  Fr= 1--       0.597                  0.689                  0.559
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.03  -0.05   0.04
     2   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     3   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.02   0.03  -0.01
     4   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     5   6    -0.00   0.00  -0.00     0.02  -0.05   0.04    -0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00     0.03   0.04  -0.01    -0.00  -0.01   0.00
     7   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     8   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     9   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    10   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    11   6     0.00  -0.01   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   8     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    14   8     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    15   1    -0.00   0.01  -0.01    -0.02   0.04  -0.03    -0.31   0.61  -0.49
    16   1    -0.02  -0.03   0.01    -0.02  -0.03   0.01    -0.28  -0.41   0.13
    17   1     0.01  -0.01   0.01    -0.29   0.56  -0.43     0.01  -0.01   0.01
    18   1     0.00   0.00  -0.00    -0.35  -0.51   0.15     0.04   0.06  -0.02
    19   1     0.00   0.00   0.00    -0.00  -0.01  -0.00     0.00   0.00  -0.00
    20   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.01  -0.02
    21   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    22   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.01  -0.01
    23   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.01   0.00   0.01
    24   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.00  -0.00
    25   1     0.00   0.00   0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
    26   1     0.00   0.00   0.00    -0.00  -0.01  -0.00     0.00   0.00   0.00
    27   1     0.00  -0.00  -0.00     0.01  -0.00  -0.00    -0.00   0.00   0.00
    28   1    -0.03   0.14  -0.07    -0.01   0.02  -0.01     0.00  -0.00   0.00
    29   6     0.00  -0.06   0.07     0.00  -0.00   0.00    -0.00   0.00  -0.00
    30   1    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    31   1    -0.16   0.74  -0.39    -0.00   0.01  -0.00     0.00  -0.02   0.01
    32   1    -0.18  -0.02  -0.06    -0.00  -0.00  -0.00     0.01   0.00   0.00
    33   1     0.30   0.04  -0.33     0.00  -0.00  -0.00    -0.01  -0.00   0.01
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3178.7930              3185.4181              3723.5538
 Red. masses --      1.0936                 1.0937                 1.0639
 Frc consts  --      6.5107                 6.5387                 8.6912
 IR Inten    --     18.0639                 3.2051                65.9155
 RamAct Fr= 1--    100.0363               140.2681               169.9442
  Dep-P Fr= 1--      0.1463                 0.1302                 0.2594
  Dep-U Fr= 1--      0.2552                 0.2305                 0.4120
 Alpha2 Fr= 1--      1.5611                 2.2789                 1.9614
 Beta2  Fr= 1--      4.2552                 5.3880                11.6690
 AlphaG Fr= 1--     -1.3040                 0.3907                -0.2141
 Gamma2 Fr= 1--     -8.5120                 6.6056                -5.7910
 Delta2 Fr= 1--     -2.7415                 0.9836                 0.4491
 Raman1 Fr= 1--     400.145                561.072                679.777
 ROA1   Fr= 1--    -904.883                665.613               -541.565
 CID1   Fr= 1--      -2.261                  1.186                 -0.797
 Raman2 Fr= 1--      51.063                 64.656                140.028
 ROA2   Fr= 1--    -182.357                150.665               -142.577
 CID2   Fr= 1--      -3.571                  2.330                 -1.018
 Raman3 Fr= 1--     102.125                129.312                280.055
 ROA3   Fr= 1--    -904.883                665.613               -541.565
 CID3   Fr= 1--      -8.861                  5.147                 -1.934
 RC180  Fr= 1--      -0.490                 -0.539                 -0.176
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.02  -0.03   0.03     0.00  -0.00   0.00
     2   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.01  -0.01   0.00    -0.04  -0.06   0.02    -0.00   0.00   0.00
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   6     0.02  -0.04   0.03    -0.00   0.01  -0.01     0.00   0.00   0.00
     6   6    -0.04  -0.05   0.01     0.01   0.01  -0.00     0.00   0.00  -0.00
     7   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     8   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     9   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    10   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    11   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    12   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    13   8    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    14   8    -0.00   0.00   0.00     0.00   0.00  -0.00     0.04   0.01  -0.05
    15   1    -0.02   0.04  -0.03    -0.19   0.37  -0.30    -0.00   0.00  -0.00
    16   1     0.10   0.14  -0.04     0.46   0.66  -0.21     0.00  -0.00   0.00
    17   1    -0.24   0.46  -0.35     0.04  -0.08   0.06     0.00  -0.00   0.00
    18   1     0.41   0.60  -0.18    -0.08  -0.11   0.03    -0.00  -0.00   0.00
    19   1     0.01   0.01   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    20   1     0.00   0.00   0.00    -0.00   0.00  -0.01    -0.00   0.00  -0.00
    21   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    22   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    23   1     0.00   0.00   0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
    24   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    25   1    -0.01  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    26   1     0.00   0.01   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    27   1    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    28   1    -0.00   0.01  -0.01     0.00  -0.00   0.00    -0.00   0.00   0.00
    29   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    30   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.58  -0.14   0.80
    31   1    -0.00   0.01  -0.00    -0.00   0.02  -0.01     0.00  -0.00  -0.00
    32   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    33   1     0.00   0.00  -0.00     0.00   0.00  -0.01    -0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  8 and mass  15.99491
 Atom    14 has atomic number  8 and mass  15.99491
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Molecular mass:   206.13068 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1287.498276738.777736840.31589
           X            0.99998  -0.00191   0.00550
           Y            0.00191   1.00000   0.00032
           Z           -0.00550  -0.00031   0.99998
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06727     0.01285     0.01266
 Rotational constants (GHZ):           1.40174     0.26781     0.26384
 Zero-point vibrational energy     746965.1 (Joules/Mol)
                                  178.52894 (Kcal/Mol)
 Warning -- explicit consideration of  22 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     35.05    56.07    71.41    81.13   124.06
          (Kelvin)            147.50   248.99   303.14   322.84   345.30
                              355.50   384.71   403.39   487.83   512.91
                              561.35   584.57   607.33   608.42   722.87
                              745.53   860.32   903.55   923.38   957.79
                             1012.13  1107.06  1119.97  1177.83  1206.60
                             1226.39  1233.06  1255.41  1295.57  1356.12
                             1378.65  1395.23  1400.98  1413.23  1459.79
                             1506.26  1559.31  1575.47  1588.17  1597.25
                             1649.11  1671.66  1730.58  1745.42  1760.32
                             1779.02  1790.62  1842.33  1883.94  1884.93
                             1941.79  1965.66  1978.77  1997.10  2003.66
                             2021.60  2037.17  2049.91  2101.74  2142.65
                             2143.19  2146.97  2154.44  2156.65  2170.58
                             2175.99  2232.90  2327.17  2385.80  2598.07
                             4320.50  4353.58  4355.79  4363.67  4384.21
                             4408.05  4418.07  4439.76  4443.44  4447.96
                             4455.49  4475.75  4502.98  4549.09  4556.93
                             4573.57  4583.11  5357.36
 
 Zero-point correction=                           0.284504 (Hartree/Particle)
 Thermal correction to Energy=                    0.300043
 Thermal correction to Enthalpy=                  0.300987
 Thermal correction to Gibbs Free Energy=         0.240275
 Sum of electronic and zero-point Energies=           -656.739092
 Sum of electronic and thermal Energies=              -656.723554
 Sum of electronic and thermal Enthalpies=            -656.722610
 Sum of electronic and thermal Free Energies=         -656.783321
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  188.280             58.568            127.778
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.874
 Rotational               0.889              2.981             32.451
 Vibrational            186.502             52.607             53.453
 Vibration     1          0.593              1.985              6.242
 Vibration     2          0.594              1.981              5.311
 Vibration     3          0.595              1.978              4.832
 Vibration     4          0.596              1.975              4.580
 Vibration     5          0.601              1.959              3.744
 Vibration     6          0.605              1.947              3.406
 Vibration     7          0.627              1.876              2.402
 Vibration     8          0.643              1.825              2.038
 Vibration     9          0.649              1.804              1.923
 Vibration    10          0.657              1.779              1.803
 Vibration    11          0.661              1.768              1.751
 Vibration    12          0.672              1.733              1.613
 Vibration    13          0.680              1.710              1.531
 Vibration    14          0.719              1.597              1.217
 Vibration    15          0.732              1.562              1.137
 Vibration    16          0.758              1.491              1.000
 Vibration    17          0.771              1.457              0.940
 Vibration    18          0.784              1.422              0.885
 Vibration    19          0.785              1.421              0.882
 Vibration    20          0.858              1.245              0.652
 Vibration    21          0.873              1.210              0.614
 Vibration    22          0.956              1.036              0.453
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.302725-110       -110.518952       -254.479292
 Total V=0       0.220635D+21         20.343674         46.843039
 Vib (Bot)       0.943697-125       -125.025168       -287.881087
 Vib (Bot)    1  0.850060D+01          0.929450          2.140137
 Vib (Bot)    2  0.530971D+01          0.725071          1.669537
 Vib (Bot)    3  0.416508D+01          0.619623          1.426734
 Vib (Bot)    4  0.366352D+01          0.563898          1.298423
 Vib (Bot)    5  0.238606D+01          0.377682          0.869644
 Vib (Bot)    6  0.200086D+01          0.301216          0.693575
 Vib (Bot)    7  0.116335D+01          0.065711          0.151306
 Vib (Bot)    8  0.942423D+00         -0.025754         -0.059301
 Vib (Bot)    9  0.879904D+00         -0.055565         -0.127942
 Vib (Bot)   10  0.817028D+00         -0.087763         -0.202082
 Vib (Bot)   11  0.790975D+00         -0.101837         -0.234489
 Vib (Bot)   12  0.723730D+00         -0.140424         -0.323337
 Vib (Bot)   13  0.685613D+00         -0.163921         -0.377442
 Vib (Bot)   14  0.547971D+00         -0.261242         -0.601532
 Vib (Bot)   15  0.515347D+00         -0.287901         -0.662916
 Vib (Bot)   16  0.460102D+00         -0.337146         -0.776308
 Vib (Bot)   17  0.436652D+00         -0.359865         -0.828620
 Vib (Bot)   18  0.415297D+00         -0.381641         -0.878761
 Vib (Bot)   19  0.414315D+00         -0.382669         -0.881128
 Vib (Bot)   20  0.326421D+00         -0.486221         -1.119566
 Vib (Bot)   21  0.312031D+00         -0.505802         -1.164653
 Vib (Bot)   22  0.250244D+00         -0.601636         -1.385319
 Vib (V=0)       0.687794D+06          5.837458         13.441244
 Vib (V=0)    1  0.901529D+01          0.954980          2.198922
 Vib (V=0)    2  0.583320D+01          0.765907          1.763565
 Vib (V=0)    3  0.469498D+01          0.671634          1.546494
 Vib (V=0)    4  0.419748D+01          0.622988          1.434484
 Vib (V=0)    5  0.293789D+01          0.468035          1.077691
 Vib (V=0)    6  0.256238D+01          0.408644          0.940937
 Vib (V=0)    7  0.176625D+01          0.247052          0.568858
 Vib (V=0)    8  0.156685D+01          0.195027          0.449065
 Vib (V=0)    9  0.151204D+01          0.179564          0.413462
 Vib (V=0)   10  0.145788D+01          0.163722          0.376984
 Vib (V=0)   11  0.143576D+01          0.157081          0.361692
 Vib (V=0)   12  0.137965D+01          0.139769          0.321830
 Vib (V=0)   13  0.134857D+01          0.129872          0.299042
 Vib (V=0)   14  0.124180D+01          0.094053          0.216565
 Vib (V=0)   15  0.121804D+01          0.085662          0.197243
 Vib (V=0)   16  0.117948D+01          0.071691          0.165074
 Vib (V=0)   17  0.116383D+01          0.065888          0.151713
 Vib (V=0)   18  0.114998D+01          0.060690          0.139743
 Vib (V=0)   19  0.114935D+01          0.060453          0.139198
 Vib (V=0)   20  0.109712D+01          0.040254          0.092688
 Vib (V=0)   21  0.108938D+01          0.037178          0.085605
 Vib (V=0)   22  0.105913D+01          0.024948          0.057444
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.116324D+09          8.065668         18.571887
 Rotational      0.275770D+07          6.440548         14.829909
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3        33333333333333333                           111111111111111111111111111111111111                                       
     7        11111100000000000                           8665554444444443333333222222111100009999998888877766655544433322222211     
     2        87663199887643220                           051510999986210987651084321064109841877540755317606429102209538644217085532
     4        59720171861473763                           687229972091565385600905633326045475240830372998936288823260690770413366094
 
     X        XXXXXXXXXXXXXXXXX                           XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX
     X             XX X   X XXX                           X  X           X            XX X X        X      X XXX                     
     X              X X     XX                            X              X            XX X X               X  XX                     
     X              X X                                   X                           X    X                   X                     
     X              X                                     X                           X                        X                     
                    X                                     X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000001178    0.000001280   -0.000000052
      2        6          -0.000001173    0.000000552    0.000000244
      3        6          -0.000000695   -0.000000641   -0.000002328
      4        6           0.000006063    0.000003035    0.000003642
      5        6          -0.000004768    0.000000520    0.000001781
      6        6           0.000003605   -0.000000223    0.000000922
      7        6          -0.000000279   -0.000000691    0.000002011
      8        6           0.000002423    0.000001264   -0.000001038
      9        6          -0.000001382   -0.000003848   -0.000000662
     10        6           0.000000641   -0.000000141   -0.000002315
     11        6          -0.000006060   -0.000004646   -0.000007542
     12        6           0.000000251   -0.000001668    0.000003198
     13        8           0.000000828    0.000001403   -0.000000760
     14        8           0.000000220    0.000002144    0.000001309
     15        1           0.000000913   -0.000001477   -0.000000384
     16        1           0.000000636   -0.000000121    0.000000020
     17        1           0.000000925   -0.000000300    0.000000159
     18        1          -0.000000870   -0.000000548    0.000000174
     19        1           0.000000350   -0.000000158    0.000000025
     20        1           0.000000335   -0.000000978   -0.000001909
     21        1          -0.000000210    0.000000238    0.000000607
     22        1           0.000000739    0.000000270   -0.000000704
     23        1          -0.000000254    0.000001292   -0.000000263
     24        1          -0.000000369    0.000000341   -0.000000512
     25        1          -0.000000680   -0.000000283    0.000000673
     26        1           0.000000238    0.000000085    0.000000080
     27        1          -0.000000070    0.000000076    0.000000447
     28        1           0.000000639   -0.000000423    0.000000682
     29        6          -0.000001262    0.000004214    0.000003095
     30        1           0.000000909   -0.000000468    0.000000046
     31        1          -0.000001047   -0.000000100   -0.000000501
     32        1           0.000000423    0.000000418   -0.000000173
     33        1           0.000000160   -0.000000422    0.000000027
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000007542 RMS     0.000001834
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.215738D+03  0.632354D+01  0.782381D+01
      2   0.632354D+01  0.153118D+03 -0.866225D+01
      3   0.782381D+01 -0.866225D+01  0.138286D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.719362D+01  0.387984D+01 -0.311616D+00
      2  -0.117768D+02  0.998883D+01 -0.481710D+02
      3  -0.365318D+02  0.487462D+02 -0.185593D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.186751D+03  0.208980D+02 -0.452410D+02
      2   0.799002D+02 -0.229799D+02 -0.966026D+00
      3   0.106850D+03  0.208198D+01  0.462070D+02
      4   0.292260D+02 -0.106209D+03  0.288512D+02
      5   0.120493D+02  0.315798D+02 -0.915385D+02
      6   0.744921D+01  0.229503D+02  0.269507D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.110379D+02  0.165883D+01  0.267201D+01  0.133961D+02 -0.292867D+00
      2   0.165883D+01 -0.184749D+01 -0.106521D-01 -0.292867D+00  0.207535D+01
      3   0.267201D+01 -0.106521D-01  0.704426D+00  0.142148D+01  0.973850D+00
                 6             7             8             9            10 
      1   0.142148D+01 -0.532355D+00 -0.195102D+01  0.347142D-01 -0.325460D+02
      2   0.973850D+00 -0.195102D+01  0.808568D+00  0.720990D+00 -0.131838D+00
      3  -0.766321D+00  0.347142D-01  0.720990D+00 -0.411173D+01 -0.404217D+01
                11            12            13            14            15 
      1  -0.131838D+00 -0.404217D+01  0.449140D+00 -0.148399D+01 -0.175732D+01
      2  -0.250367D+01  0.813689D+00 -0.148399D+01 -0.163631D+01 -0.410271D+00
      3   0.813689D+00 -0.188073D+01 -0.175732D+01 -0.410271D+00 -0.110099D+01
                16            17            18            19            20 
      1  -0.857304D+01 -0.171409D+01 -0.448315D+01 -0.866197D+01 -0.830962D+00
      2  -0.171409D+01 -0.778377D+00 -0.631080D+00 -0.830962D+00  0.687864D+00
      3  -0.448315D+01 -0.631080D+00 -0.307084D+01 -0.289208D+01 -0.143800D+01
                21            22            23            24            25 
      1  -0.289208D+01  0.108317D+02  0.645455D+00  0.303370D+01 -0.113859D+02
      2  -0.143800D+01  0.645455D+00  0.293116D+01  0.121722D+01 -0.108616D+01
      3   0.201453D+01  0.303370D+01  0.121722D+01  0.915915D+00 -0.809202D+00
                26            27            28            29            30 
      1  -0.108616D+01 -0.809202D+00  0.293720D+02  0.206511D+01  0.529351D+01
      2   0.204362D+01  0.771839D+00  0.206511D+01  0.238708D+01 -0.943037D-01
      3   0.771839D+00 -0.184451D+01  0.529351D+01 -0.943037D-01  0.263821D+01
                31            32            33            34            35 
      1   0.170575D+01  0.131403D+01  0.193010D+01  0.581443D+01  0.234043D+01
      2   0.131403D+01 -0.524694D+00  0.812798D+00  0.234043D+01  0.195993D+01
      3   0.193010D+01  0.812798D+00  0.206531D+01  0.568695D+01  0.877733D+00
                36            37            38            39            40 
      1   0.568695D+01 -0.125437D+02 -0.147048D+01 -0.345310D+01 -0.151621D+02
      2   0.877733D+00 -0.147048D+01  0.333260D+01 -0.111549D-01 -0.115999D+01
      3   0.236465D+01 -0.345310D+01 -0.111549D-01 -0.929760D+00 -0.140059D+01
                41            42            43            44            45 
      1  -0.115999D+01 -0.140059D+01 -0.227691D+00  0.197314D+01  0.415589D+00
      2  -0.160162D+01 -0.155361D+01  0.197314D+01 -0.881368D+00 -0.102305D+01
      3  -0.155361D+01  0.545252D-01  0.415589D+00 -0.102305D+01  0.427101D+01
                46            47            48            49            50 
      1   0.100362D+02  0.635912D+00  0.307725D+01 -0.958279D+01  0.848823D+00
      2   0.635912D+00 -0.166019D+01  0.158573D+01  0.848823D+00 -0.218562D+01
      3   0.307725D+01  0.158573D+01 -0.164334D+01 -0.283714D+01 -0.117882D+01
                51            52            53            54            55 
      1  -0.283714D+01  0.127741D+02  0.440462D+00 -0.430957D-01  0.201269D+02
      2  -0.117882D+01  0.440462D+00 -0.360798D+01 -0.118443D+01 -0.164320D+01
      3  -0.108329D+01 -0.430957D-01 -0.118443D+01  0.140163D+01 -0.764827D+00
                56            57            58            59            60 
      1  -0.164320D+01 -0.764827D+00 -0.490082D+01  0.370726D+01  0.138248D+01
      2   0.205732D+01  0.951807D+00  0.370726D+01  0.500932D+01  0.227505D+01
      3   0.951807D+00  0.159924D+01  0.138248D+01  0.227505D+01 -0.278313D+01
                61            62            63            64            65 
      1  -0.540203D+01  0.164614D+01  0.374797D+01 -0.221544D+01  0.314054D+01
      2   0.164614D+01  0.895475D+00 -0.216205D+01  0.314054D+01 -0.120005D+01
      3   0.374797D+01 -0.216205D+01  0.491753D+01  0.570827D+01 -0.790995D+00
                66            67            68            69            70 
      1   0.570827D+01  0.869382D+01 -0.131972D+01 -0.996776D+00  0.153883D+02
      2  -0.790995D+00 -0.131972D+01 -0.477089D+01 -0.734363D+00 -0.185216D+01
      3   0.413792D+00 -0.996776D+00 -0.734363D+00  0.347877D+01  0.578609D+00
                71            72            73            74            75 
      1  -0.185216D+01  0.578609D+00  0.521397D+00 -0.326924D+01 -0.467424D+01
      2  -0.996657D+00  0.361041D+01 -0.326924D+01  0.190825D+01  0.129471D+01
      3   0.361041D+01 -0.143361D+01 -0.467424D+01  0.129471D+01  0.257826D+00
                76            77            78            79            80 
      1  -0.387757D+01  0.100248D+01  0.882934D+00 -0.668638D+01  0.177559D+01
      2   0.100248D+01  0.282988D+01  0.910529D+00  0.177559D+01  0.127731D+01
      3   0.882934D+00  0.910529D+00 -0.355087D+01  0.794752D+00 -0.458470D+01
                81            82            83            84            85 
      1   0.794752D+00  0.843296D+00 -0.206731D+01 -0.525830D+01 -0.360977D+01
      2  -0.458470D+01 -0.206731D+01  0.137788D+01  0.831505D+00  0.180504D+01
      3   0.271991D+01 -0.525830D+01  0.831505D+00  0.969974D+00  0.191536D+01
                86            87            88            89            90 
      1   0.180504D+01  0.191536D+01 -0.679987D+01  0.149937D+01  0.414406D+00
      2   0.649538D+01  0.181228D+00  0.149937D+01  0.130013D+01 -0.292854D+01
      3   0.181228D+00 -0.313856D+01  0.414406D+00 -0.292854D+01  0.537238D+00
                91            92            93            94            95 
      1  -0.663833D+01  0.738918D+00  0.264667D+00 -0.157022D+01 -0.244437D+01
      2   0.738918D+00 -0.129479D+01 -0.582365D+00 -0.244437D+01  0.180735D+01
      3   0.264667D+00 -0.582365D+00 -0.233281D+01 -0.238815D+01 -0.430151D+01
                96            97            98            99           100 
      1  -0.238815D+01  0.554121D+01 -0.157456D+01 -0.570164D+01 -0.345123D+01
      2  -0.430151D+01 -0.157456D+01 -0.327842D+01 -0.509351D+00 -0.234426D+01
      3  -0.240823D+01 -0.570164D+01 -0.509351D+00 -0.825403D+00 -0.194965D+00
               101           102           103           104           105 
      1  -0.234426D+01 -0.194965D+00 -0.620717D+01 -0.236748D+01  0.272108D+01
      2  -0.133106D+01  0.372025D+00 -0.236748D+01 -0.231189D+01  0.251381D+01
      3   0.372025D+00  0.160010D+01  0.272108D+01  0.251381D+01 -0.182436D+01
               106           107           108           109           110 
      1   0.341816D+00  0.114140D+01  0.220602D+01  0.603820D+01  0.380459D+01
      2   0.114140D+01  0.243191D+01 -0.664257D+00  0.380459D+01  0.238404D+01
      3   0.220602D+01 -0.664257D+00 -0.194371D+01 -0.155549D+01 -0.440978D+00
               111           112           113           114           115 
      1  -0.155549D+01  0.114836D+02  0.420922D+01 -0.207583D+01 -0.503537D+01
      2  -0.440978D+00  0.420922D+01  0.798889D+01 -0.168812D+01 -0.123496D+01
      3   0.593835D+00 -0.207583D+01 -0.168812D+01  0.328513D+01  0.174030D+01
               116           117           118           119           120 
      1  -0.123496D+01  0.174030D+01 -0.654881D+00 -0.809070D+00  0.243608D+01
      2  -0.231346D+01  0.227327D+01 -0.809070D+00  0.215867D-01 -0.793789D+00
      3   0.227327D+01 -0.225729D+01  0.243608D+01 -0.793789D+00 -0.316367D+01
               121           122           123           124           125 
      1  -0.586109D+01  0.199901D+01  0.193078D+00  0.271332D+01 -0.121954D+01
      2   0.199901D+01 -0.500465D+01 -0.160022D+01 -0.121954D+01  0.173359D+00
      3   0.193078D+00 -0.160022D+01 -0.983954D+00 -0.352959D+01 -0.239405D+00
               126           127           128           129           130 
      1  -0.352959D+01 -0.170907D+01  0.135662D+01 -0.121506D+01  0.144398D+01
      2  -0.239405D+00  0.135662D+01 -0.969649D+00  0.951352D+00 -0.155417D+01
      3   0.367892D+01 -0.121506D+01  0.951352D+00 -0.119662D+01  0.116207D+01
               131           132           133           134           135 
      1  -0.155417D+01  0.116207D+01 -0.179699D+01  0.165402D+01 -0.128203D+01
      2   0.414566D+01 -0.284442D+01  0.165402D+01 -0.279508D+01  0.222558D+01
      3  -0.284442D+01  0.286627D+01 -0.128203D+01  0.222558D+01 -0.247171D+01
               136           137           138           139           140 
      1   0.350781D+01  0.204596D+01 -0.404100D+00  0.254427D+01  0.260488D+01
      2   0.204596D+01  0.205845D+01 -0.374478D+00  0.260488D+01  0.446359D+01
      3  -0.404100D+00 -0.374478D+00  0.531050D+00 -0.987095D+00 -0.147987D+01
               141           142           143           144           145 
      1  -0.987095D+00 -0.740468D+00 -0.776891D+00  0.438373D+00  0.182203D+01
      2  -0.147987D+01 -0.776891D+00 -0.191321D+01  0.789681D+00 -0.148803D+01
      3   0.120030D+01  0.438373D+00  0.789681D+00 -0.719600D+00  0.147016D+01
               146           147           148           149           150 
      1  -0.148803D+01  0.147016D+01 -0.144288D+01  0.178668D+01 -0.125382D+01
      2   0.142579D+01 -0.116944D+01  0.178668D+01 -0.534028D+01  0.306696D+01
      3  -0.116944D+01  0.130028D+01 -0.125382D+01  0.306696D+01 -0.273452D+01
               151           152           153           154           155 
      1   0.137313D+01 -0.162035D+01  0.118263D+01 -0.323710D+01 -0.245732D+01
      2  -0.162035D+01  0.331694D+01 -0.224713D+01 -0.245732D+01 -0.284717D+01
      3   0.118263D+01 -0.224713D+01  0.202419D+01  0.540053D+00  0.409763D+00
               156           157           158           159           160 
      1   0.540053D+00 -0.297247D+01 -0.327040D+01  0.101092D+01  0.682294D+00
      2   0.409763D+00 -0.327040D+01 -0.601489D+01  0.145877D+01  0.700046D+00
      3  -0.304056D+00  0.101092D+01  0.145877D+01 -0.104429D+01 -0.376493D+00
               161           162           163           164           165 
      1   0.700046D+00 -0.376493D+00 -0.302856D+01 -0.169615D+01 -0.390806D+00
      2   0.202363D+01 -0.764667D+00 -0.169615D+01 -0.162066D+01 -0.732740D+00
      3  -0.764667D+00  0.484219D+00 -0.390806D+00 -0.732740D+00 -0.778169D+00
               166           167           168           169           170 
      1  -0.445206D+01 -0.277087D+01 -0.144146D+01  0.190555D+01 -0.639287D+00
      2  -0.277087D+01 -0.701618D+01 -0.258771D+01 -0.639287D+00 -0.104852D+01
      3  -0.144146D+01 -0.258771D+01 -0.175726D+01 -0.794191D+00 -0.113947D+01
               171           172           173           174           175 
      1  -0.794191D+00 -0.149542D+01  0.716629D+00 -0.119966D+01  0.404572D+01
      2  -0.113947D+01  0.716629D+00 -0.400923D+00  0.342320D-01 -0.931591D+00
      3  -0.141688D+01 -0.119966D+01  0.342320D-01 -0.985121D+00  0.959211D+00
               176           177           178           179           180 
      1  -0.931591D+00  0.959211D+00 -0.226753D+01  0.269132D+00 -0.253173D+01
      2   0.582592D+00 -0.146489D+01  0.269132D+00 -0.105818D+01  0.122277D+01
      3  -0.146489D+01  0.284359D+01 -0.253173D+01  0.122277D+01 -0.833225D+01
               181           182           183           184           185 
      1  -0.113364D+02 -0.112637D+01 -0.379074D+01 -0.226005D+01 -0.161205D+01
      2  -0.112637D+01 -0.116686D+01 -0.188364D+00 -0.161205D+01  0.436255D-01
      3  -0.379074D+01 -0.188364D+00 -0.230408D+01 -0.106925D+00 -0.565062D+00
               186           187           188           189           190 
      1  -0.106925D+00 -0.588634D+01  0.494345D-01 -0.280061D+01 -0.251905D+00
      2  -0.565062D+00  0.494345D-01 -0.636268D+00 -0.727444D+00  0.102061D+01
      3  -0.794081D+00 -0.280061D+01 -0.727444D+00 -0.222480D+01 -0.475030D+00
               191           192           193           194           195 
      1   0.102061D+01 -0.475030D+00  0.993035D+00 -0.619924D+00  0.219670D+00
      2  -0.297741D+00 -0.961287D-03 -0.619924D+00  0.301672D+01 -0.224301D+01
      3  -0.961287D-03 -0.238150D+00  0.219670D+00 -0.224301D+01  0.242697D+01
               196           197           198           199           200 
      1  -0.109574D+01  0.559092D+00 -0.502817D+00  0.579190D+01  0.240236D+00
      2   0.559092D+00 -0.365282D+01  0.327922D+01  0.240236D+00  0.193972D+01
      3  -0.502817D+00  0.327922D+01 -0.534422D+01  0.157986D+01  0.474623D+00
               201           202           203           204           205 
      1   0.157986D+01  0.563606D+00  0.816437D+00  0.219380D+00  0.213868D+01
      2   0.474623D+00  0.816437D+00  0.928175D+00  0.406893D+00  0.282946D+00
      3   0.141627D+01  0.219380D+00  0.406893D+00  0.751048D+00  0.928412D+00
               206           207           208           209           210 
      1   0.282946D+00  0.928412D+00 -0.625664D+01  0.365686D+01  0.259972D+01
      2   0.104921D+01  0.112639D+01  0.365686D+01 -0.322392D+01 -0.131330D+01
      3   0.112639D+01  0.128574D+01  0.259972D+01 -0.131330D+01 -0.178095D+01
               211           212           213           214           215 
      1   0.247994D+01 -0.264891D+01 -0.111063D+01  0.351637D+01 -0.208183D+01
      2  -0.264891D+01  0.261853D+01  0.115955D+01 -0.208183D+01  0.217367D+01
      3  -0.111063D+01  0.115955D+01  0.118020D+01 -0.231054D+01  0.200603D+01
               216           217           218           219           220 
      1  -0.231054D+01  0.585908D+01  0.446291D+00  0.127900D+01  0.551892D+00
      2   0.200603D+01  0.446291D+00  0.768695D+00 -0.150758D+00  0.248651D+00
      3   0.197136D+01  0.127900D+01 -0.150758D+00  0.242790D+01  0.465450D-01
               221           222           223           224           225 
      1   0.248651D+00  0.465450D-01  0.199025D+01 -0.611500D-01  0.119384D+01
      2  -0.429956D+00  0.462956D+00 -0.611500D-01  0.530718D+00  0.159508D+00
      3   0.462956D+00  0.727324D+00  0.119384D+01  0.159508D+00  0.270754D+01
               226           227           228           229           230 
      1  -0.112011D+01 -0.128472D+01  0.680060D+00 -0.197948D+01 -0.211852D+01
      2  -0.128472D+01 -0.144735D+01  0.628365D-01 -0.211852D+01 -0.850536D+01
      3   0.680060D+00  0.628365D-01 -0.404083D+00  0.422556D+00  0.910043D+00
               231           232           233           234           235 
      1   0.422556D+00  0.209200D+00 -0.116846D+00 -0.264582D+00 -0.695289D+01
      2   0.910043D+00 -0.116846D+00 -0.460902D+00 -0.646374D+00  0.933424D+00
      3  -0.127366D+01 -0.264582D+00 -0.646374D+00 -0.491624D-01  0.433685D+01
               236           237           238           239           240 
      1   0.933424D+00  0.433685D+01  0.262323D+01 -0.144795D+01 -0.162785D+01
      2  -0.123531D+01 -0.474020D+00 -0.144795D+01  0.463242D+00  0.842840D+00
      3  -0.474020D+00 -0.329200D+01 -0.162785D+01  0.842840D+00  0.196894D+01
               241           242           243           244           245 
      1   0.397566D+01 -0.599661D+00 -0.352004D+01 -0.242298D+00 -0.161668D+01
      2  -0.599661D+00  0.552405D+00  0.814026D+00 -0.161668D+01  0.872612D+00
      3  -0.352004D+01  0.814026D+00  0.384373D+01  0.440362D+00 -0.393941D+00
               246           247           248           249           250 
      1   0.440362D+00 -0.270649D+01  0.144207D+01 -0.769910D+00  0.695428D+00
      2  -0.393941D+00  0.144207D+01 -0.447639D+01  0.199338D+01 -0.550541D+00
      3   0.758564D+00 -0.769910D+00  0.199338D+01 -0.200503D+01  0.139569D+01
               251           252           253           254           255 
      1  -0.550541D+00  0.139569D+01 -0.765540D+01 -0.182825D+01 -0.649872D+01
      2   0.207222D+01 -0.146908D+01 -0.182825D+01  0.571134D+00 -0.580265D+00
      3  -0.146908D+01  0.248979D+01 -0.649872D+01 -0.580265D+00  0.118746D+01
               256           257           258           259           260 
      1   0.301474D+01  0.235952D+01  0.139057D+01 -0.300741D+01  0.623502D+00
      2   0.235952D+01 -0.142662D+01  0.371139D+01  0.623502D+00  0.352940D+01
      3   0.139057D+01  0.371139D+01  0.279597D+01  0.282484D+01  0.109442D+01
               261           262           263           264           265 
      1   0.282484D+01  0.469043D+01 -0.166735D+01 -0.341565D+01  0.516348D+00
      2   0.109442D+01 -0.166735D+01  0.128231D+01  0.105686D+01  0.581287D+00
      3  -0.926642D+00 -0.341565D+01  0.105686D+01  0.315207D+01 -0.482161D+00
               266           267           268           269           270 
      1   0.581287D+00 -0.482161D+00 -0.462768D+01  0.161986D+01  0.469564D+01
      2  -0.835396D+00 -0.496718D+00  0.161986D+01 -0.168959D+01 -0.174897D+01
      3  -0.496718D+00  0.378310D+00  0.469564D+01 -0.174897D+01 -0.573823D+01
               271           272           273           274           275 
      1   0.381657D+00  0.829878D+00  0.180122D+00  0.147851D+01  0.672617D-01
      2   0.829878D+00 -0.689085D+00 -0.182583D-01  0.672617D-01  0.587332D+01
      3   0.180122D+00 -0.182583D-01 -0.415782D+00  0.257532D+00 -0.473016D+00
               276           277           278           279           280 
      1   0.257532D+00 -0.829818D+00 -0.149161D+00 -0.543437D+00  0.117329D+02
      2  -0.473016D+00 -0.149161D+00 -0.198451D+01  0.373019D+00  0.222468D+01
      3   0.134811D+01 -0.543437D+00  0.373019D+00 -0.109184D+01  0.538999D+01
               281           282           283           284           285 
      1   0.222468D+01  0.538999D+01  0.346675D+00  0.111204D+01  0.170451D+00
      2   0.156847D+01  0.135558D+01  0.111204D+01  0.628759D+00  0.381534D+00
      3   0.135558D+01  0.360613D+01  0.170451D+00  0.381534D+00 -0.172089D+00
               286           287           288           289           290 
      1   0.375051D+01  0.747274D+00  0.284916D+01 -0.176439D+01  0.216149D+00
      2   0.747274D+00  0.296321D+00  0.677983D+00  0.216149D+00 -0.907878D+00
      3   0.284916D+01  0.677983D+00  0.292320D+01  0.227699D+01 -0.635951D+00
               291           292           293           294           295 
      1   0.227699D+01 -0.576987D+00 -0.507345D+00 -0.103454D+00  0.208442D+01
      2  -0.635951D+00 -0.507345D+00  0.179170D+00  0.342806D+00 -0.936460D-01
      3  -0.352234D+01 -0.103454D+00  0.342806D+00 -0.866034D+00 -0.163475D+01
               296           297 
      1  -0.936460D-01 -0.163475D+01
      2   0.660518D+00  0.647139D+00
      3   0.647139D+00  0.618177D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.123825D+01  0.347924D+01 -0.156491D+00  0.574973D+01  0.866649D+00
      2   0.437161D+01 -0.441638D+01  0.431120D+01 -0.174076D+01 -0.577498D+01
      3  -0.153471D+02 -0.721125D+01  0.210684D+01 -0.243646D+01 -0.245452D+01
                 6             7             8             9            10 
      1  -0.193232D+01  0.548718D+01  0.264042D+01  0.112732D+01 -0.476714D+01
      2   0.195843D+01 -0.120053D+02 -0.348998D+01  0.785247D+00 -0.779766D+01
      3   0.105712D+01  0.577568D+01  0.939712D+00 -0.680150D+00  0.205982D+02
                11            12            13            14            15 
      1  -0.237800D+01  0.680072D+00 -0.101860D+02  0.490294D+01 -0.190835D+01
      2   0.157227D+01 -0.241456D+01  0.762939D+01  0.444893D+01 -0.176881D+01
      3   0.158297D+01  0.187934D+01  0.212052D+02  0.211993D+01  0.220140D+01
                16            17            18            19            20 
      1   0.338283D+01  0.664908D+01 -0.554966D+01 -0.129797D+00 -0.954702D+00
      2  -0.157407D+02 -0.172531D+01 -0.100095D+00  0.551778D+01 -0.639732D+00
      3  -0.102985D+01  0.175005D+01  0.641230D+00  0.802275D+01 -0.425597D+01
                21            22            23            24            25 
      1  -0.620400D-02 -0.178778D+01 -0.202022D+01 -0.270335D+01 -0.684145D+01
      2   0.161104D+01 -0.720168D+01  0.223663D+01 -0.101596D+01 -0.985209D+01
      3   0.321530D+01 -0.213242D+01  0.803710D+00 -0.169113D+01  0.113426D+02
                26            27            28            29            30 
      1   0.153427D+01 -0.436433D+01  0.208756D+01 -0.469242D+01  0.367826D+01
      2   0.170570D+01 -0.277559D+01  0.441636D+01  0.216874D+01  0.793312D-01
      3  -0.155750D+01  0.531977D+01 -0.164528D+02  0.607375D+00 -0.481795D+01
                31            32            33            34            35 
      1  -0.697658D+01  0.395897D+01 -0.146448D+01  0.841631D+01  0.719118D+01
      2   0.601154D+01  0.462983D+01  0.207044D+01 -0.113487D+02 -0.902396D+00
      3   0.238178D+02  0.406468D+01  0.185141D+01 -0.105625D+02  0.107478D+01
                36            37            38            39            40 
      1  -0.174116D+01 -0.315747D+01  0.111642D+01 -0.110135D+01  0.820045D+00
      2  -0.549361D+01  0.479104D-01 -0.403873D+01  0.369100D+01  0.534421D-01
      3  -0.652043D+01  0.445771D+01 -0.439332D+01  0.534216D+01  0.131880D+02
                41            42            43            44            45 
      1   0.538633D+00 -0.175314D+01  0.373827D+01  0.126604D+01  0.463075D+01
      2  -0.426857D+01 -0.574359D+00 -0.951999D+01 -0.312995D+01  0.976588D+00
      3  -0.312775D+00  0.370491D+01  0.528772D+01  0.389039D+00  0.446908D+00
                46            47            48            49            50 
      1   0.453777D+01  0.128953D+01 -0.203076D+01 -0.480124D+01 -0.727438D+00
      2   0.666254D+01 -0.124044D+01  0.174226D+01 -0.850976D+01  0.226933D+01
      3  -0.734659D+01 -0.413787D+01 -0.168355D+01  0.996307D+01 -0.428625D+00
                51            52            53            54            55 
      1  -0.355707D+01 -0.703992D+01  0.258006D+01 -0.179632D+01  0.315557D+01
      2  -0.119549D+00 -0.648168D+01  0.284036D+01 -0.274969D+01  0.241056D+02
      3   0.142841D+01 -0.558745D+01 -0.345382D+01  0.168886D+01 -0.185934D+02
                56            57            58            59            60 
      1  -0.315186D+00 -0.141953D+01 -0.371976D+01 -0.698025D+01 -0.703229D+01
      2  -0.509315D+01 -0.311672D+01 -0.103345D+02 -0.110866D+01  0.112846D+02
      3   0.510035D+01  0.343857D+01  0.244113D+02  0.145888D+02  0.715306D+01
                61            62            63            64            65 
      1  -0.192896D+01 -0.139351D+01  0.743381D+01 -0.263217D+01 -0.189697D+00
      2  -0.278846D+02  0.108743D+02 -0.118986D+02 -0.348098D+02  0.479349D+01
      3   0.936231D+01  0.255497D+01 -0.115826D+02  0.205689D+02 -0.851922D+01
                66            67            68            69            70 
      1   0.424006D+00  0.454959D+01  0.473191D+00 -0.406327D+01  0.183795D-01
      2   0.250790D+01  0.122841D+02  0.448556D+00 -0.141622D+02  0.609291D+01
      3  -0.284476D+01 -0.437743D+01 -0.202085D+02 -0.403977D+01 -0.137993D+02
                71            72            73            74            75 
      1   0.339310D+01 -0.482444D+00  0.937009D+01 -0.283857D+01 -0.101772D+01
      2  -0.161900D+02  0.656759D+01  0.206712D+02 -0.456899D+01  0.867107D+00
      3  -0.482953D+01  0.165476D+02 -0.178165D+02 -0.287484D+01 -0.415547D+01
                76            77            78            79            80 
      1  -0.214618D+01 -0.259626D+01  0.638206D+01 -0.351120D+01  0.135399D+02
      2  -0.415036D+01 -0.323832D+01  0.138334D+02 -0.571764D+01  0.179944D+02
      3  -0.222958D+01  0.151085D+02  0.594046D+01 -0.459420D+01  0.887298D+01
                81            82            83            84            85 
      1  -0.625712D+01 -0.578190D+01  0.304253D+01  0.259913D+01  0.561921D+01
      2  -0.106217D+02  0.261659D+02 -0.246465D+01  0.786366D+01 -0.539444D+01
      3  -0.180773D+02 -0.889093D+01  0.514897D+01  0.847306D+01  0.118880D+02
                86            87            88            89            90 
      1   0.120196D+02 -0.510745D+01  0.379791D+01  0.153437D+01 -0.470540D+01
      2  -0.247605D+01  0.114599D+02  0.602314D+01  0.111148D+02 -0.361922D+01
      3   0.269265D+02 -0.118248D+00  0.126946D+02  0.501359D+01 -0.136191D+02
                91            92            93            94            95 
      1  -0.193408D+01 -0.214175D+01 -0.395329D+00 -0.583319D+01  0.195869D+01
      2   0.143255D+02 -0.143495D+01 -0.134892D+01 -0.461212D+01 -0.110658D+02
      3  -0.498793D+00 -0.102384D+01  0.194140D+01  0.158150D+02 -0.653628D+01
                96            97            98            99           100 
      1  -0.896421D+01  0.157155D+01  0.253942D-01  0.189404D+00  0.267723D+01
      2  -0.437005D+01 -0.328610D+02 -0.146421D+01  0.152155D+01 -0.261298D+02
      3   0.146063D+02  0.426036D+01  0.115532D+02  0.293422D+01  0.516026D+01
               101           102           103           104           105 
      1   0.666224D+01  0.256753D+01  0.318772D+01  0.245650D+01  0.633229D+01
      2   0.331227D+01  0.854836D+01  0.125834D+02  0.890562D+01 -0.906368D+01
      3   0.151510D+01 -0.177816D+01  0.801231D+01  0.126896D+02 -0.100616D+02
               106           107           108           109           110 
      1  -0.138916D+01  0.458928D+01  0.113032D-01 -0.174479D+01 -0.332333D+01
      2  -0.252277D+01 -0.342205D+01  0.595210D+01  0.128858D+01 -0.142417D+01
      3  -0.171541D+01 -0.179311D+02  0.834748D+00 -0.104802D+02 -0.117391D+02
               111           112           113           114           115 
      1  -0.322363D+01 -0.218378D+00 -0.562540D+01 -0.758030D+01 -0.976467D+00
      2   0.545609D+01 -0.120548D+02 -0.810602D+01  0.139793D+02  0.797232D+01
      3   0.143713D+01 -0.605060D+01 -0.332415D+02  0.560164D+01 -0.715965D+00
               116           117           118           119           120 
      1   0.345789D+01  0.167837D+01  0.289218D+01 -0.899253D+00 -0.101326D+01
      2   0.944978D+01 -0.122999D+02  0.112450D+02 -0.416082D+01 -0.831560D+01
      3   0.121908D+02 -0.834627D+01  0.371324D+01 -0.225775D+01  0.929921D+00
               121           122           123           124           125 
      1   0.332659D+01  0.341989D+01 -0.746516D+01 -0.201061D+01  0.161180D+01
      2   0.214587D+01 -0.496861D+01 -0.491167D+01 -0.107689D+02 -0.144696D+01
      3  -0.201333D+00  0.194491D+02  0.391636D+01  0.420212D+01  0.140687D+01
               126           127           128           129           130 
      1   0.295950D+01 -0.872303D+00  0.893176D+00  0.962536D+00  0.130939D+01
      2   0.110589D+02 -0.305290D+01  0.108608D+01 -0.121827D+00  0.221010D+01
      3   0.427753D+01 -0.295217D+01  0.582829D+00 -0.527401D+00  0.234074D+01
               131           132           133           134           135 
      1  -0.331798D+01 -0.119883D+01 -0.153839D+01  0.392419D+01 -0.209720D+00
      2   0.398356D+00 -0.169405D+01 -0.391140D+01  0.342500D+00  0.112032D+01
      3   0.148384D+01 -0.637948D+00 -0.234430D+01 -0.789991D+00  0.195428D+00
               136           137           138           139           140 
      1  -0.163314D+01 -0.240928D+01 -0.156623D+01 -0.112660D+01 -0.163020D+01
      2   0.401679D+01  0.182619D+01  0.740153D+00  0.259569D+01  0.143538D+01
      3   0.578010D+01  0.641393D+00 -0.367979D+00  0.469749D+01 -0.111665D+01
               141           142           143           144           145 
      1  -0.257530D+01 -0.197873D+00  0.185348D+01  0.578262D-01  0.171131D+01
      2   0.117261D+01 -0.501467D+00 -0.462183D+00 -0.673315D+00 -0.113572D+01
      3  -0.197530D+00  0.635857D+00  0.121575D+01  0.205225D+00 -0.434328D+01
               146           147           148           149           150 
      1  -0.531691D+00  0.267863D+01 -0.762828D+00  0.500316D+00 -0.450250D+01
      2   0.214718D+00  0.359901D+00  0.886032D+00  0.670948D+00 -0.192963D+01
      3   0.104371D+01 -0.197637D+01  0.348126D+01 -0.214966D-02  0.943812D+00
               151           152           153           154           155 
      1   0.569363D+00  0.117992D+01  0.207026D+01  0.702120D+00 -0.626360D+00
      2  -0.234885D+01 -0.172538D+00  0.736203D+00  0.141967D+01  0.646568D+00
      3  -0.344741D+01  0.755616D+00 -0.118308D+01  0.655112D+01  0.771942D+00
               156           157           158           159           160 
      1  -0.192171D+01  0.188572D+01  0.168031D+01 -0.389720D+01 -0.113030D+00
      2   0.972383D+00  0.850485D-01  0.313575D+00  0.172690D+01 -0.127962D+01
      3  -0.896015D+00  0.557487D+01 -0.123810D+01 -0.620088D+00  0.603845D-01
               161           162           163           164           165 
      1   0.717133D+00  0.875760D+00  0.184800D+01  0.195056D+01 -0.126279D+00
      2   0.171083D+00 -0.585620D+00 -0.335978D+01 -0.111813D+00  0.314910D+01
      3   0.115813D+01 -0.614995D-01 -0.442617D+01 -0.552874D+01 -0.211773D+01
               166           167           168           169           170 
      1   0.258603D+01  0.903621D+01 -0.476050D+00  0.681379D+00  0.180694D+01
      2  -0.123107D+01  0.379110D+01  0.430078D+01  0.283821D+01  0.217899D+01
      3  -0.315927D+01 -0.215626D+02 -0.772040D+01 -0.371073D+01 -0.320880D+01
               171           172           173           174           175 
      1   0.345794D-01 -0.170188D+01  0.871143D+00 -0.495596D+00  0.157469D+01
      2   0.369294D+01  0.250652D+01  0.570119D+00  0.271155D+01  0.244797D+01
      3  -0.278296D+01  0.471524D+01 -0.317655D+01  0.111187D+01 -0.391901D+01
               176           177           178           179           180 
      1  -0.248969D+01  0.283744D+01 -0.170787D+01  0.544583D+01 -0.662351D+01
      2   0.326480D+01 -0.847628D+01  0.269681D+01 -0.346456D+01  0.238049D+02
      3   0.224654D+01 -0.563532D+01  0.209996D+01 -0.431124D+01  0.684042D+01
               181           182           183           184           185 
      1   0.333186D+00  0.110315D+01 -0.428054D-02  0.207920D+00  0.307123D-01
      2   0.921613D+01  0.618240D-01  0.111054D+02 -0.146958D+01  0.149331D+01
      3  -0.386971D+01 -0.819021D+01 -0.408547D+00 -0.481505D+01  0.826007D+00
               186           187           188           189           190 
      1  -0.669604D+00 -0.126367D+00  0.154988D+01  0.250292D+00  0.651534D+00
      2   0.378762D+01  0.593561D+01  0.372841D+01  0.832413D+01  0.206573D+01
      3  -0.229495D+01  0.174046D+01 -0.332475D+01 -0.331257D+01  0.556450D+01
               191           192           193           194           195 
      1   0.183600D-01  0.149841D+00 -0.222463D+00  0.324688D+01 -0.658529D+01
      2   0.161957D+00  0.116446D+01  0.102866D+00  0.832902D+01 -0.917728D+01
      3  -0.207789D+00 -0.852278D+00  0.133655D+01  0.110514D+02 -0.924404D+01
               196           197           198           199           200 
      1   0.265857D+00 -0.344029D+01  0.119026D+02 -0.284185D+01 -0.254339D+00
      2  -0.125021D+01 -0.119913D+02  0.206018D+02 -0.881692D+01 -0.183761D+01
      3  -0.118378D+01 -0.148203D+02  0.136023D+02  0.195734D+02  0.682641D+01
               201           202           203           204           205 
      1  -0.373225D+01 -0.285068D+00 -0.101115D+01 -0.224824D+01 -0.242374D+01
      2  -0.431219D+01 -0.831397D+00 -0.179474D+01 -0.221411D+01 -0.611175D+01
      3   0.580690D+01  0.734220D+01  0.440426D+01  0.258621D+01  0.599030D+01
               206           207           208           209           210 
      1  -0.570728D+00 -0.253944D+01 -0.578743D+01  0.193085D+01  0.508010D+01
      2  -0.401141D+01 -0.428936D+01 -0.104616D+02  0.530687D+01  0.921802D+01
      3   0.438238D+01  0.703914D+01  0.316700D+01 -0.925886D+01 -0.415929D+00
               211           212           213           214           215 
      1   0.292734D+01 -0.216583D+01 -0.395731D+01  0.494586D+01 -0.241550D+01
      2   0.372620D+01 -0.477147D+01 -0.564711D+01  0.787578D+01 -0.813444D+01
      3  -0.354994D+01  0.659444D+01  0.244369D+01 -0.371629D+00  0.641585D+01
               216           217           218           219           220 
      1  -0.464016D+01  0.464880D+00  0.241381D+01  0.128084D+01  0.114199D+01
      2  -0.883834D+01 -0.209237D+02  0.350187D+00 -0.117594D+02 -0.108786D+00
      3   0.462537D+01 -0.402329D+01  0.179925D+01 -0.188415D+01  0.333128D+01
               221           222           223           224           225 
      1  -0.147831D+00 -0.156094D+00  0.520525D+00  0.200674D+01  0.200762D+01
      2  -0.253879D+01 -0.301197D+01 -0.118463D+02 -0.735411D+00 -0.127925D+02
      3  -0.204967D+01  0.146563D+01 -0.248626D+01  0.108489D+01 -0.604835D+00
               226           227           228           229           230 
      1  -0.118215D+01 -0.203946D+01 -0.536037D+00 -0.221250D+01 -0.122513D+02
      2  -0.294151D+01  0.987878D+00  0.152303D+01  0.732735D+00 -0.295468D+01
      3  -0.522879D+01 -0.562313D+01 -0.165819D+00 -0.354491D+01 -0.354968D+02
               231           232           233           234           235 
      1  -0.315973D+01 -0.199071D+00 -0.168661D+00 -0.107062D+01  0.476648D+01
      2   0.576067D+01 -0.712467D+00  0.252622D+01  0.913327D+00 -0.942069D+01
      3   0.313506D+01 -0.469434D+00 -0.214423D+01 -0.242848D+01  0.866449D+01
               236           237           238           239           240 
      1  -0.378204D+01 -0.294457D+01 -0.313323D+01  0.191398D+01  0.128117D+01
      2   0.545624D+00  0.109866D+02  0.319457D+01 -0.195425D+01 -0.752806D+01
      3  -0.850186D+01 -0.485588D+01 -0.729882D+01  0.343764D+01  0.429011D+01
               241           242           243           244           245 
      1  -0.419417D+01  0.322970D+01  0.358715D+01 -0.197520D+01  0.108377D+01
      2   0.695397D+01 -0.258405D+01 -0.134506D+02  0.161123D+01  0.181807D+00
      3  -0.553990D+01  0.400421D+01  0.592175D+01  0.543080D+01 -0.267293D+01
               246           247           248           249           250 
      1  -0.345907D+00  0.102759D+01 -0.532184D+01 -0.491092D+00 -0.857834D+00
      2   0.267552D+01  0.420659D+00  0.492434D+01 -0.490475D+01  0.187646D+01
      3   0.151217D+01  0.207806D+00  0.133662D+02 -0.574733D+01  0.122352D+01
               251           252           253           254           255 
      1   0.329846D+01 -0.489468D+00  0.374898D+01  0.367920D+01 -0.374637D+01
      2  -0.367691D+01  0.571356D+01 -0.531581D+01  0.113290D+01  0.185037D+02
      3  -0.648773D+01  0.393678D+01 -0.411449D+01 -0.691493D+01 -0.626979D+01
               256           257           258           259           260 
      1   0.438220D+01 -0.100559D+02  0.399076D+01 -0.922603D+00  0.946853D+01
      2   0.246323D+01  0.919806D+01  0.702914D+01  0.153657D+02  0.334135D+01
      3  -0.815258D+01  0.681495D+01 -0.133282D+02 -0.805713D+01 -0.119622D+02
               261           262           263           264           265 
      1   0.558887D+01 -0.263992D+01 -0.726883D+00  0.295135D+01  0.147841D+00
      2  -0.712699D+01 -0.920240D+01  0.396121D+01  0.109232D+02 -0.160742D+01
      3  -0.215684D+01  0.180285D+01 -0.453243D+01 -0.102293D+01 -0.124288D+01
               266           267           268           269           270 
      1  -0.839303D+00 -0.289720D+00  0.394467D+01  0.757259D+00 -0.507701D+01
      2  -0.164280D+01  0.153595D+01  0.139433D+02 -0.599641D+01 -0.213857D+02
      3   0.200648D+01  0.154321D+01 -0.175867D+01  0.609513D+01  0.262534D+01
               271           272           273           274           275 
      1   0.252621D+01 -0.167985D+01  0.145232D+01 -0.915465D+00  0.135498D+02
      2   0.228952D+00 -0.111845D+01 -0.112830D+01 -0.142827D+01 -0.127092D+01
      3  -0.375778D+01  0.270592D+01 -0.640884D+00  0.392755D+01 -0.176598D+02
               276           277           278           279           280 
      1  -0.601000D+01  0.145620D+01 -0.414648D+01  0.481612D+01 -0.126579D+01
      2   0.321390D+01 -0.183313D+01  0.117493D+01 -0.245447D+01 -0.533126D+01
      3   0.232558D+01 -0.262281D+01  0.632552D+01 -0.233101D+01  0.484952D+01
               281           282           283           284           285 
      1   0.326848D+01 -0.168075D+01  0.193444D+01  0.143347D+01 -0.456090D+00
      2   0.823967D+00  0.428973D+01 -0.143744D+00 -0.102286D+01 -0.495475D+00
      3  -0.558286D+01  0.631236D+00 -0.178073D+01 -0.151407D+01 -0.277749D+00
               286           287           288           289           290 
      1  -0.183313D+01  0.978938D+00 -0.211311D+01 -0.266432D+01 -0.301963D+01
      2   0.393196D+00  0.570028D+00  0.475185D+01  0.127286D+02 -0.148895D+01
      3   0.217567D+01 -0.130199D+01  0.651862D+00 -0.364158D+01  0.171437D+01
               291           292           293           294           295 
      1   0.295963D+01 -0.196282D+01 -0.471937D+00  0.237881D+00  0.217908D+01
      2  -0.133403D+02  0.124589D+01  0.219971D+01 -0.204880D+01 -0.113327D+02
      3   0.418990D+01  0.221455D+01 -0.999463D+00 -0.670576D+00  0.314515D+01
               296           297 
      1   0.246829D+01 -0.589627D+01
      2   0.182609D+01  0.207249D+02
      3  -0.106029D+01 -0.464733D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.348046D+01  0.135786D+02 -0.485603D+01 -0.274103D+02  0.155993D+02
      2   0.577650D+01 -0.129086D+02  0.692737D+01  0.170098D+02 -0.471485D+01
      3  -0.229604D+01 -0.670025D+00 -0.207134D+01  0.104005D+02 -0.108844D+02
      4   0.100465D+02  0.425955D+01  0.596008D+01  0.156154D+02  0.125930D+00
      5  -0.965597D+01  0.748137D+01 -0.554482D+01 -0.731335D+01 -0.331944D+01
      6   0.861731D+01  0.159218D+01  0.620306D+00 -0.548848D+01  0.929496D+01
                 6             7             8             9            10 
      1  -0.138649D+02  0.108198D+02  0.388946D+01 -0.102333D+02  0.616268D+02
      2   0.677348D+01 -0.858894D+01  0.196729D+01 -0.973472D+01 -0.322883D+02
      3   0.709146D+01 -0.223084D+01 -0.585674D+01  0.199680D+02 -0.293384D+02
      4  -0.323245D+01  0.993490D+01 -0.725641D+01  0.346034D+01 -0.299145D+01
      5  -0.129033D+01  0.369922D+01  0.342867D+01 -0.132855D+01  0.105265D+02
      6  -0.667513D+01  0.670503D+01 -0.153449D+01  0.414210D+01  0.894724D+00
                11            12            13            14            15 
      1  -0.233070D+01  0.761244D+01 -0.108244D+02 -0.161435D+02  0.597395D+01
      2   0.630654D+01 -0.629353D+01  0.356240D+01  0.124545D+02 -0.105285D+02
      3  -0.397583D+01 -0.131891D+01  0.726196D+01  0.368909D+01  0.455457D+01
      4   0.791476D+01 -0.473181D+01 -0.112720D+02  0.308027D+01  0.580078D+00
      5  -0.404509D+01  0.221320D+01  0.122026D+02 -0.840638D-01  0.114954D+01
      6   0.165530D+01 -0.141712D+01 -0.764092D+00 -0.409370D+01  0.568395D+01
                16            17            18            19            20 
      1   0.293083D+01  0.753210D+01 -0.698626D+01  0.197245D+01 -0.141458D+02
      2  -0.484139D+01 -0.280208D+01 -0.170373D+01 -0.894516D+01  0.591916D+01
      3   0.191056D+01 -0.473001D+01  0.868999D+01  0.697271D+01  0.822668D+01
      4   0.143768D+02  0.280872D+01 -0.362337D-01 -0.133827D+02 -0.757565D+01
      5   0.953645D+01  0.274049D+00  0.485206D+01  0.316271D+01 -0.303362D+01
      6   0.969858D+01  0.110934D+02  0.513113D+01 -0.555581D+01 -0.534121D+01
                21            22            23            24            25 
      1   0.120555D+02  0.196901D+02  0.181120D+01 -0.253636D+01 -0.129026D+02
      2  -0.169169D+01 -0.134160D+02 -0.222147D+01  0.327966D+01  0.130768D+02
      3  -0.103638D+02 -0.627417D+01  0.410266D+00 -0.743292D+00 -0.174228D+00
      4  -0.906565D+00  0.639340D+01 -0.525125D+01  0.634070D+01 -0.897502D+01
      5   0.672552D+01  0.315510D+01  0.763144D+01 -0.218628D+01  0.770449D+01
      6   0.127694D+01  0.133563D+02  0.853851D+01  0.499795D+01 -0.841931D+01
                26            27            28            29            30 
      1  -0.147943D+02 -0.128629D+00  0.150251D+02  0.394243D+01  0.220756D+01
      2   0.149851D+02 -0.417659D+01 -0.124406D+02 -0.452189D+01 -0.297023D+01
      3  -0.190756D+00  0.430522D+01 -0.258456D+01  0.579458D+00  0.762670D+00
      4  -0.105432D+01 -0.304189D+01 -0.204594D+00  0.660273D+01 -0.140297D+01
      5  -0.188275D+01 -0.586954D+01  0.438141D+01 -0.123638D+01  0.397643D+01
      6  -0.323940D+00 -0.467547D+00  0.873303D+01  0.312875D+01 -0.117162D+01
                31            32            33            34            35 
      1  -0.689437D+01 -0.155816D+02  0.529879D+01 -0.533437D+01  0.859140D+01
      2  -0.319610D+01  0.942521D+01 -0.119451D+02 -0.599561D-01 -0.665062D+01
      3   0.100905D+02  0.615641D+01  0.664636D+01  0.539432D+01 -0.194078D+01
      4  -0.962885D+01 -0.223190D+01  0.123152D+01  0.165406D+02  0.386615D+01
      5   0.128774D+02  0.143040D+01  0.695583D+01  0.143871D+02  0.242126D+01
      6  -0.578324D+01 -0.612239D+01  0.461872D+01  0.451448D+01  0.100586D+02
                36            37            38            39            40 
      1  -0.231784D+01  0.835991D+01  0.190394D+02 -0.155313D+01 -0.200565D+02
      2  -0.178451D+01  0.258135D+01 -0.191573D+02  0.506429D+01  0.172130D+02
      3   0.410234D+01 -0.109413D+02  0.117945D+00 -0.351116D+01  0.284347D+01
      4   0.168907D+01  0.655331D+01 -0.186048D+01  0.606633D+01  0.940752D+01
      5  -0.343103D+00 -0.680124D+01  0.852652D+01 -0.662714D+01  0.131955D+01
      6   0.329161D+01  0.474700D+01 -0.356801D+01 -0.116379D+00 -0.926311D+01
                41            42            43            44            45 
      1   0.663630D+01 -0.108947D+02  0.576519D+01 -0.278906D+01 -0.804411D+01
      2   0.276650D+01  0.100390D+02 -0.954196D+01  0.744884D+01 -0.635666D+01
      3  -0.940281D+01  0.855766D+00  0.377677D+01 -0.465978D+01  0.144008D+02
      4   0.179808D+01 -0.520257D+01  0.471026D+01 -0.116611D+02  0.465086D+01
      5  -0.433228D+01 -0.406352D+01  0.923501D+01  0.432908D+01 -0.136918D+01
      6   0.123189D+02 -0.777787D+01  0.569755D+01  0.649156D+00 -0.561034D+00
                46            47            48            49            50 
      1  -0.168629D+01 -0.146801D+02  0.703780D+01  0.262794D+02 -0.516914D+01
      2  -0.712899D+01  0.702254D+01 -0.374068D+01 -0.208572D+02  0.295745D+01
      3   0.881528D+01  0.765755D+01 -0.329712D+01 -0.542224D+01  0.221169D+01
      4  -0.992339D+01 -0.975716D+01 -0.301204D+00  0.320574D-01 -0.696632D+01
      5  -0.406810D+01 -0.263453D+01  0.821077D+01  0.878016D+01  0.577618D+01
      6  -0.239469D+01 -0.748157D+01  0.500586D+01  0.109872D+02  0.118419D+02
                51            52            53            54            55 
      1  -0.174256D+01 -0.269586D+02 -0.209602D+02  0.307747D+00 -0.559108D+02
      2   0.392146D+01  0.165558D+02  0.230564D+02 -0.185552D+01  0.250825D+02
      3  -0.217890D+01  0.104028D+02 -0.209621D+01  0.154777D+01  0.308283D+02
      4   0.616514D+01 -0.804247D+01  0.271290D+01  0.823861D+00  0.115534D+02
      5   0.512278D+00  0.937235D+01 -0.123907D+01 -0.307333D+01  0.150246D+02
      6   0.586775D+01 -0.298823D+01  0.588419D+01  0.620460D+00  0.285033D+00
                56            57            58            59            60 
      1   0.101422D+02  0.116761D+02  0.266069D+02 -0.339132D+01 -0.994511D+01
      2  -0.520979D+01 -0.520752D+01 -0.214497D+02 -0.411478D+01 -0.620734D+01
      3  -0.493245D+01 -0.646856D+01 -0.515724D+01  0.750609D+01  0.161524D+02
      4  -0.165708D+02 -0.658301D+01 -0.266697D+02 -0.396239D+02 -0.172803D+02
      5  -0.707388D+01 -0.112660D+02 -0.101670D+02 -0.163470D+02  0.186584D+02
      6  -0.354971D+01 -0.165352D+01 -0.118181D+02 -0.142801D+02 -0.678254D+01
                61            62            63            64            65 
      1   0.406843D+02 -0.111640D+02  0.423589D+01 -0.428587D+02 -0.234980D+02
      2  -0.112006D+02 -0.259030D+01  0.147023D+02  0.258928D+02  0.998025D+01
      3  -0.294837D+02  0.137543D+02 -0.189382D+02  0.169660D+02  0.135177D+02
      4  -0.107317D+02 -0.747552D+01  0.148592D+02 -0.252717D+02  0.114625D+02
      5  -0.215716D+02  0.147963D+02 -0.336565D+02 -0.598817D+02  0.506121D+01
      6  -0.169561D+01 -0.386096D+01  0.514062D+01  0.899434D+00  0.389474D+00
                66            67            68            69            70 
      1  -0.545346D+02 -0.456771D+02  0.943679D+01  0.501007D+01 -0.920309D+02
      2   0.266828D+02  0.274886D+02 -0.971670D+01 -0.463423D+01  0.449328D+02
      3   0.278518D+02  0.181885D+02  0.279905D+00 -0.375839D+00  0.470980D+02
      4   0.601895D+01  0.942032D+01  0.380536D+02  0.541485D+01  0.141999D+02
      5  -0.577752D+01  0.877875D+01  0.394604D+01 -0.275264D+02 -0.842299D+01
      6   0.115805D+01  0.159306D+01 -0.311883D+00  0.503924D+00 -0.329661D+01
                71            72            73            74            75 
      1   0.942193D+01 -0.160557D+02  0.723613D+01  0.267738D+02  0.377937D+02
      2  -0.605347D+01  0.107144D+02 -0.117452D+02 -0.915950D+01 -0.167922D+02
      3  -0.336847D+01  0.534127D+01  0.450907D+01 -0.176144D+02 -0.210016D+02
      4   0.101501D+02 -0.295063D+02  0.259911D+02 -0.248488D+02 -0.225609D+02
      5  -0.299265D+02  0.103313D+02  0.381567D+02 -0.139152D+02 -0.521643D+01
      6   0.202852D+01  0.195736D+01 -0.185977D+02  0.454219D+01 -0.180393D+00
                76            77            78            79            80 
      1   0.285113D+02 -0.147481D+02 -0.122746D+02  0.484970D+02 -0.208640D+02
      2  -0.124795D+02  0.181097D+02  0.782553D+01 -0.206421D+02  0.116782D+02
      3  -0.160318D+02 -0.336165D+01  0.444908D+01 -0.278549D+02  0.918579D+01
      4  -0.177544D+02 -0.154048D+02 -0.430673D+01 -0.290606D+02 -0.583689D+01
      5  -0.102993D+02 -0.450511D+01  0.288599D+02 -0.107148D+02  0.376536D+02
      6   0.381725D+01  0.542087D+01 -0.148625D+02  0.538488D+01 -0.175117D+02
                81            82            83            84            85 
      1   0.594284D+01  0.330394D+01  0.169039D+02  0.499805D+02  0.271208D+02
      2  -0.111065D+02  0.141385D+02 -0.122991D+02 -0.255637D+02 -0.225155D+02
      3   0.516365D+01 -0.174424D+02 -0.460479D+01 -0.244168D+02 -0.460534D+01
      4   0.381693D+02  0.186970D+02 -0.106214D+02 -0.527917D+01 -0.150828D+02
      5  -0.216302D+02  0.458959D+02 -0.108041D+02 -0.219653D+02 -0.225080D+02
      6   0.119444D+02 -0.308801D+01  0.237147D+01  0.296437D+01  0.324018D+01
                86            87            88            89            90 
      1  -0.104100D+02 -0.129252D+02  0.570151D+02 -0.792335D+01 -0.792006D+01
      2  -0.951558D+01  0.132667D+02 -0.309366D+02  0.984168D+01  0.498209D+01
      3   0.199256D+02 -0.341491D+00 -0.260785D+02 -0.191832D+01  0.293798D+01
      4  -0.584589D+02 -0.187773D+01 -0.999218D+01 -0.114419D+02  0.245727D+02
      5   0.193709D+01  0.282613D+02 -0.193039D+02  0.256688D+02 -0.791406D+00
      6   0.100747D+02  0.305985D+01  0.497529D+01  0.342250D+01 -0.859449D+01
                91            92            93            94            95 
      1  -0.218617D+01  0.947893D+01  0.171049D+02  0.715708D+01  0.574934D+01
      2   0.374677D+00 -0.459733D+01 -0.519948D+01  0.768276D+00  0.240833D+01
      3   0.181149D+01 -0.488160D+01 -0.119055D+02 -0.792535D+01 -0.815768D+01
      4   0.916500D+01 -0.479510D+01 -0.982128D+00 -0.125698D+02  0.139714D+02
      5   0.153728D+02 -0.854498D+00 -0.798428D+01 -0.118851D+02 -0.270312D+02
      6  -0.118541D+00 -0.528902D+01 -0.766689D+00 -0.143566D+02  0.519424D+01
                96            97            98            99           100 
      1   0.256738D+01  0.368588D+02 -0.107585D+00 -0.123511D+02 -0.934433D+01
      2   0.451214D+01 -0.158887D+02 -0.284802D-01  0.703217D+01  0.181481D+01
      3  -0.707953D+01 -0.209701D+02  0.136066D+00  0.531897D+01  0.752952D+01
      4  -0.263054D+02 -0.110747D+02 -0.206204D+02  0.301801D-02 -0.158089D+02
      5  -0.933939D+01 -0.370488D+02  0.121981D-01 -0.250307D+01  0.397315D+01
      6  -0.170247D+02 -0.450102D+01 -0.127681D+02 -0.471877D+01  0.118178D+01
               101           102           103           104           105 
      1  -0.114149D+02 -0.581559D+01 -0.359788D+02 -0.161427D+02  0.141739D+02
      2   0.572463D+01  0.155002D+01  0.232521D+02  0.898987D+00 -0.137697D+02
      3   0.569027D+01  0.426556D+01  0.127266D+02  0.152438D+02 -0.404203D+00
      4  -0.177815D+02  0.380792D+01 -0.342703D+02 -0.190145D+02  0.198171D+02
      5   0.445319D+01  0.832510D+01  0.250020D+02  0.194016D+02 -0.202804D+02
      6   0.811235D+01 -0.109893D+01  0.985604D+01  0.320337D+01 -0.113592D+02
               106           107           108           109           110 
      1   0.982483D+01  0.733224D+01  0.170900D+02  0.499492D+02  0.261782D+02
      2   0.246215D+00 -0.409695D+01 -0.107482D+02 -0.230692D+02 -0.987776D+01
      3  -0.100710D+02 -0.323529D+01 -0.634185D+01 -0.268800D+02 -0.163005D+02
      4   0.837718D+01  0.323003D+02 -0.745526D+01  0.360166D+02  0.303876D+02
      5   0.176187D+02 -0.695021D+01 -0.509680D+01 -0.183933D+02 -0.696649D+01
      6  -0.112717D+00 -0.588522D+01  0.661607D+00 -0.681780D+01 -0.593641D+01
               111           112           113           114           115 
      1  -0.109429D+02  0.557566D+02  0.138590D+02 -0.819574D+01 -0.222979D+02
      2   0.624560D+01 -0.256516D+02  0.597625D+01  0.575191D+01  0.142022D+02
      3   0.469733D+01 -0.301050D+02 -0.198352D+02  0.244383D+01  0.809569D+01
      4  -0.469925D+01  0.435064D+02  0.691161D+02 -0.149418D+02 -0.116935D+02
      5   0.126076D+02 -0.241490D+02 -0.152279D+02  0.287729D+02  0.223864D+02
      6   0.389194D+01 -0.659459D+01 -0.170305D+02  0.146287D+02  0.364132D+01
               116           117           118           119           120 
      1  -0.186706D+01  0.226202D+01  0.342244D+00 -0.111470D+02  0.149974D+02
      2   0.123354D+01 -0.724885D+01  0.892745D+01  0.138972D+01 -0.135346D+02
      3   0.633526D+00  0.498683D+01 -0.926969D+01  0.975727D+01 -0.146279D+01
      4  -0.236117D+02  0.199087D+02 -0.856577D+01  0.945607D+01 -0.859213D+01
      5   0.192357D+02 -0.221692D+02  0.230134D+02 -0.544278D+01 -0.230877D+02
      6   0.142822D+02 -0.988469D+01 -0.270401D+01  0.358240D+00  0.363993D+01
               121           122           123           124           125 
      1  -0.261115D+02  0.286593D+01 -0.598395D+01  0.247951D+02 -0.131215D+02
      2   0.757372D+01  0.137478D+02  0.368635D+01 -0.204140D+02  0.684596D+01
      3   0.185378D+02 -0.166137D+02  0.229760D+01 -0.438106D+01  0.627551D+01
      4   0.314975D+02 -0.460670D+02 -0.129791D+02 -0.105609D+02 -0.913702D+00
      5   0.603155D+01 -0.101338D+02 -0.943009D+01 -0.299495D+02  0.105295D+00
      6  -0.661432D+01  0.126092D+02  0.125433D+02  0.446948D+01  0.728887D+01
               126           127           128           129           130 
      1  -0.298458D+02 -0.600375D-01  0.111526D+01 -0.283128D+01  0.340818D+01
      2   0.204992D+02 -0.902979D+00  0.274445D+00 -0.138204D+01 -0.253710D+01
      3   0.934662D+01  0.963017D+00 -0.138970D+01  0.421333D+01 -0.871084D+00
      4   0.110538D+01 -0.681577D+01  0.680301D+01 -0.467751D+01  0.770243D+01
      5   0.323872D+02  0.446935D+01 -0.437115D+01  0.540503D+01 -0.416676D+01
      6   0.442706D+00 -0.491394D+01  0.483172D+01 -0.431359D+01  0.624711D+01
               131           132           133           134           135 
      1  -0.158702D+02  0.129224D+02 -0.705622D+00  0.910074D+01 -0.109957D+02
      2   0.115239D+02 -0.398738D+01 -0.875877D+00 -0.448465D+01  0.120243D+01
      3   0.434637D+01 -0.893500D+01  0.158150D+01 -0.461609D+01  0.979330D+01
      4  -0.112409D+02  0.664379D+01 -0.695935D+01  0.873926D+01 -0.694221D+01
      5   0.487460D+01 -0.452836D+01  0.527221D+01 -0.491337D+01  0.719181D+01
      6  -0.170042D+02  0.141870D+02 -0.558767D+01  0.123789D+02 -0.125778D+02
               136           137           138           139           140 
      1   0.349306D+01 -0.212051D+01  0.234883D+00 -0.356438D+01 -0.123288D+02
      2   0.141877D+01  0.521590D+01 -0.521205D+00  0.630928D+01  0.172186D+02
      3  -0.491184D+01 -0.309539D+01  0.286323D+00 -0.274491D+01 -0.488982D+01
      4   0.865675D+01  0.815728D+01 -0.193529D+01  0.100065D+02  0.131652D+02
      5  -0.547432D+01 -0.337267D+01  0.336842D+01 -0.587432D+01 -0.716245D+01
      6  -0.202378D+01 -0.223294D+01  0.236132D+01 -0.482088D+01 -0.903521D+01
               141           142           143           144           145 
      1   0.459608D+01  0.132324D+01  0.573014D+01 -0.336254D+01 -0.325009D+01
      2  -0.356175D+01 -0.197472D+01 -0.595380D+01  0.198600D+01  0.363933D+01
      3  -0.103433D+01  0.651484D+00  0.223659D+00  0.137654D+01 -0.389244D+00
      4  -0.358767D+01 -0.282994D+01 -0.304546D+01  0.268881D+01 -0.815547D+01
      5   0.525165D+01  0.324671D+01  0.313356D+01 -0.277225D+01  0.475705D+01
      6   0.622174D+01  0.276534D+01  0.529291D+01 -0.379525D+01 -0.647180D+01
               146           147           148           149           150 
      1   0.450727D+01 -0.419732D+01  0.653171D+01 -0.235279D+02  0.147931D+02
      2  -0.484336D+01  0.213228D+01 -0.732681D+01  0.263236D+02 -0.114793D+02
      3   0.336098D+00  0.206504D+01  0.795102D+00 -0.279564D+01 -0.331384D+01
      4   0.932075D+01 -0.609117D+01  0.869060D+01 -0.130241D+02  0.687988D+01
      5  -0.417093D+01  0.485115D+01 -0.384470D+01  0.356556D+01 -0.354007D+01
      6   0.661884D+01 -0.597256D+01  0.720456D+01 -0.203370D+02  0.157076D+02
               151           152           153           154           155 
      1  -0.502113D+01  0.147198D+02 -0.120050D+02  0.181200D+01 -0.353572D+01
      2   0.499303D+01 -0.139696D+02  0.735859D+01  0.739191D+01  0.125750D+02
      3   0.280910D-01 -0.750208D+00  0.464636D+01 -0.920391D+01 -0.903923D+01
      4  -0.669169D+01  0.962098D+01 -0.688207D+01  0.153822D+02  0.159460D+02
      5   0.392523D+01 -0.372189D+01  0.468282D+01 -0.531431D+01 -0.384707D+01
      6  -0.600369D+01  0.143365D+02 -0.129629D+02 -0.162570D+01 -0.109675D+01
               156           157           158           159           160 
      1  -0.872648D+00 -0.194709D+01 -0.169631D+02  0.349904D+01  0.451242D+01
      2  -0.939220D+00  0.120964D+02  0.323396D+02 -0.552807D+01 -0.470496D+01
      3   0.181187D+01 -0.101493D+02 -0.153765D+02  0.202904D+01  0.192534D+00
      4  -0.298824D+01  0.172880D+02  0.244554D+02 -0.550466D+01 -0.323406D+01
      5   0.330163D+01 -0.673979D+01 -0.753964D+01  0.511191D+01  0.195537D+01
      6   0.255109D+01 -0.425479D+01 -0.782108D+01  0.619200D+01  0.286599D+01
               161           162           163           164           165 
      1   0.724076D+01 -0.299973D+01  0.142313D+02  0.755588D+01  0.377573D+00
      2  -0.104601D+02  0.348992D+01 -0.340080D+01 -0.221714D+01 -0.727289D+00
      3   0.321933D+01 -0.490186D+00 -0.108305D+02 -0.533874D+01  0.349716D+00
      4  -0.512416D+01  0.384533D+01  0.159262D+02  0.178522D+02  0.689379D+01
      5   0.398167D+01 -0.234823D+01  0.500573D+01  0.790165D+01  0.848412D+01
      6   0.532479D+01 -0.338110D+01  0.576145D+01  0.482464D+01  0.283173D+01
               166           167           168           169           170 
      1   0.134989D+02 -0.712480D+01 -0.270328D+01 -0.773387D+01 -0.122093D+01
      2  -0.173222D+01  0.176334D+02  0.304267D+01  0.270618D+01  0.354663D+00
      3  -0.117667D+02 -0.105086D+02 -0.339384D+00  0.502769D+01  0.866265D+00
      4   0.262761D+02  0.507642D+02  0.187000D+02  0.551646D+01  0.732048D+01
      5   0.134149D+02  0.181253D+02  0.126165D+02  0.747974D+01  0.773320D+01
      6   0.102324D+02  0.227826D+02  0.131541D+02  0.344426D+01  0.885697D+01
               171           172           173           174           175 
      1  -0.230888D+01  0.622070D+01 -0.380274D+01  0.585229D+01 -0.134415D+02
      2  -0.654969D+00 -0.797645D+01  0.243805D+01 -0.524749D+01  0.107448D+02
      3   0.296385D+01  0.175575D+01  0.136469D+01 -0.604802D+00  0.269669D+01
      4   0.828064D+01 -0.518238D+01  0.482119D+01 -0.521809D+00  0.666763D+01
      5   0.991537D+01  0.976438D+01 -0.153657D+01  0.141354D+02 -0.786901D+01
      6   0.580367D+01 -0.210401D+01  0.101487D+01  0.654634D-02  0.287891D+01
               176           177           178           179           180 
      1  -0.144119D+01  0.562060D+01  0.477013D+01  0.248009D+01 -0.172810D+02
      2  -0.186915D+01  0.665388D+01 -0.116979D+02  0.349566D+01 -0.237125D+02
      3   0.331034D+01 -0.122745D+02  0.692773D+01 -0.597575D+01  0.409935D+02
      4  -0.350548D+01  0.947303D+01 -0.153009D+01  0.729185D+01 -0.801357D+01
      5   0.974313D+01 -0.191433D+02  0.230744D+02 -0.793697D+01  0.538968D+02
      6  -0.316915D+01  0.703226D+01 -0.106261D+01  0.597380D+01 -0.237838D+01
               181           182           183           184           185 
      1   0.120833D+03  0.119527D+02  0.380882D+02  0.174687D+02  0.135458D+02
      2  -0.645997D+02 -0.737431D+01 -0.211974D+02 -0.898357D+01 -0.543186D+01
      3  -0.562328D+02 -0.457837D+01 -0.168908D+02 -0.848510D+01 -0.811396D+01
      4   0.105589D+02  0.139621D+02  0.171193D+01  0.195545D+02  0.825543D+00
      5   0.439789D+02  0.249112D+01  0.273508D+02  0.259192D+01  0.672123D+01
      6   0.126701D+01  0.115688D+01  0.894352D+00  0.313649D+01  0.119547D+01
               186           187           188           189           190 
      1   0.256358D+01  0.477928D+02  0.158572D+01  0.258988D+02  0.176198D+00
      2  -0.119294D+01 -0.282194D+02 -0.140282D+01 -0.183600D+02  0.124892D+01
      3  -0.137064D+01 -0.195733D+02 -0.182901D+00 -0.753876D+01 -0.142512D+01
      4   0.662794D+01  0.362722D+00  0.552928D+01  0.601537D+01 -0.876352D+01
      5   0.668008D+01  0.338494D+02  0.671705D+01  0.240590D+02  0.423193D+01
      6   0.300248D+01  0.832456D+00  0.219536D+01  0.818795D+00 -0.218587D+01
               191           192           193           194           195 
      1  -0.926967D+01  0.442132D+01 -0.620329D+01 -0.815049D+01  0.774484D+01
      2   0.446379D+01 -0.283215D+01  0.127550D+01  0.145850D+02 -0.102838D+02
      3   0.480588D+01 -0.158918D+01  0.492779D+01 -0.643453D+01  0.253894D+01
      4   0.703341D+01 -0.229972D+01  0.969488D+01 -0.232188D+02  0.170332D+02
      5  -0.143323D+01  0.530998D+01 -0.278680D+01  0.173106D+02 -0.185216D+02
      6  -0.236586D+00 -0.367707D+00  0.141625D+01 -0.134169D+02  0.151394D+02
               196           197           198           199           200 
      1   0.711427D+01  0.958536D+01 -0.114636D+02 -0.387040D+02 -0.116190D+02
      2  -0.246299D+01 -0.132249D+02  0.593748D+01  0.208325D+02  0.116345D+02
      3  -0.465128D+01  0.363956D+01  0.552614D+01  0.178715D+02 -0.155326D-01
      4  -0.846433D+01  0.288912D+02 -0.261938D+02  0.111203D+02 -0.792431D+01
      5   0.813686D+01 -0.261952D+02  0.418699D+02 -0.751449D+01 -0.143249D+01
      6  -0.348906D+01  0.180506D+02 -0.251579D+02  0.755507D+01  0.340476D+01
               201           202           203           204           205 
      1  -0.153598D+02 -0.829809D+01 -0.920792D+01 -0.276206D+01 -0.179353D+02
      2   0.777081D+01  0.680591D+01  0.828431D+01  0.329611D+01  0.840405D+01
      3   0.758898D+01  0.149218D+01  0.923616D+00 -0.534055D+00  0.953130D+01
      4   0.319473D+01  0.110310D+01 -0.244743D+01 -0.558967D+00  0.567611D+01
      5  -0.668750D+01 -0.229670D+00 -0.176756D+01 -0.413114D+01 -0.260242D+01
      6   0.670860D+01  0.229580D+01  0.234123D+01  0.503538D+01  0.405218D+01
               206           207           208           209           210 
      1  -0.509512D+01 -0.131045D+02  0.538155D+02 -0.245381D+02 -0.202378D+02
      2   0.506743D+01  0.662423D+01 -0.189958D+02  0.260652D+01  0.883041D+01
      3   0.276969D-01  0.648025D+01 -0.348197D+02  0.219316D+02  0.114074D+02
      4  -0.529664D+01 -0.419516D+01 -0.478329D+02  0.383076D+02  0.177558D+02
      5  -0.729981D+01 -0.553081D+01 -0.270720D+02  0.133924D+02  0.195602D+02
      6   0.667494D+01  0.498277D+01  0.115375D+02 -0.691899D+01 -0.837565D+01
               211           212           213           214           215 
      1  -0.174602D+02  0.142303D+02  0.553392D+01 -0.262164D+02  0.108054D+02
      2   0.159183D+00  0.270014D+01  0.752717D+00  0.104041D+02  0.129185D+00
      3   0.173010D+02 -0.169304D+02 -0.628664D+01  0.158123D+02 -0.109346D+02
      4   0.322874D+02 -0.297500D+02 -0.129041D+02  0.269063D+02 -0.234938D+02
      5   0.111967D+02 -0.114758D+02 -0.109262D+02  0.245355D+02 -0.185288D+02
      6  -0.680360D+01  0.731726D+01  0.802696D+01 -0.106921D+02  0.109348D+02
               216           217           218           219           220 
      1   0.126416D+02 -0.415836D+02 -0.303262D+01 -0.204230D+02 -0.484205D+01
      2  -0.514703D+01  0.147149D+02  0.124481D+01  0.191925D+01  0.285055D+01
      3  -0.749452D+01  0.268687D+02  0.178780D+01  0.185037D+02  0.199151D+01
      4  -0.213172D+02 -0.741180D+01 -0.507127D+01  0.546801D+00 -0.489569D-01
      5  -0.198344D+02  0.220299D+01  0.274988D+01 -0.100695D+02  0.156020D+01
      6   0.926825D+01  0.754118D+00  0.318804D+01 -0.160400D+01  0.165247D+01
               221           222           223           224           225 
      1  -0.505899D+01 -0.139920D+01 -0.209784D+02  0.348114D+00 -0.175860D+02
      2   0.383117D+01 -0.138766D+01  0.567573D+01 -0.140400D+01 -0.172533D+01
      3   0.122782D+01  0.278686D+01  0.153027D+02  0.105589D+01  0.193113D+02
      4   0.448228D+01 -0.252233D+01 -0.149636D+01 -0.274322D+01 -0.234533D+01
      5  -0.187236D+01 -0.524916D+01  0.948248D+00 -0.853909D+00 -0.129220D+02
      6  -0.684906D+00  0.309383D+01 -0.975598D+00  0.251580D+01 -0.114779D+01
               226           227           228           229           230 
      1   0.917568D+01  0.109245D+02 -0.596005D+01  0.144333D+02  0.230581D+01
      2  -0.303804D+01 -0.231313D+01  0.355917D+01 -0.224320D+01  0.211439D+02
      3  -0.613764D+01 -0.861136D+01  0.240088D+01 -0.121901D+02 -0.234497D+02
      4   0.138436D+02  0.174966D+02 -0.104689D+01  0.253176D+02  0.758413D+02
      5  -0.727193D+01 -0.222873D+01  0.579124D+01 -0.680735D+01 -0.101400D+02
      6  -0.200416D+01 -0.259169D+01  0.888102D+00 -0.541003D+01 -0.184359D+02
               231           232           233           234           235 
      1   0.555614D+00 -0.103824D+01  0.273315D+01 -0.235784D+00  0.656714D+02
      2   0.123474D+01  0.160765D+01  0.790877D+00  0.109632D+01 -0.444907D+02
      3  -0.179035D+01 -0.569410D+00 -0.352403D+01 -0.860538D+00 -0.211807D+02
      4  -0.826758D+01  0.154233D+01  0.458676D+01  0.578336D+01 -0.682954D+01
      5   0.111305D+02  0.453929D+01  0.560232D+01  0.375901D+00 -0.548633D+02
      6   0.722027D+01  0.969617D+00  0.561199D+01 -0.865893D+00  0.219448D+01
               236           237           238           239           240 
      1  -0.920389D+01 -0.350705D+02 -0.218440D+02  0.105948D+02  0.106095D+02
      2   0.665070D+01  0.276113D+02  0.153310D+02 -0.533051D+01 -0.105056D+02
      3   0.255319D+01  0.745922D+01  0.651303D+01 -0.526431D+01 -0.103890D+00
      4   0.134707D+02  0.291115D+01  0.146893D+02 -0.512664D+01 -0.811954D+01
      5   0.660255D+01  0.411600D+02  0.198884D+02 -0.102367D+02 -0.204709D+02
      6  -0.489873D+01 -0.831788D+00 -0.558623D+01  0.299739D+01  0.431335D+01
               241           242           243           244           245 
      1  -0.331486D+02  0.366027D+01  0.225480D+02  0.167377D+01 -0.711903D+01
      2   0.278977D+02 -0.455357D+01 -0.258103D+02 -0.337346D+00  0.358020D+01
      3   0.525088D+01  0.893301D+00  0.326234D+01 -0.133643D+01  0.353883D+01
      4   0.366323D+01 -0.585904D+01 -0.609107D+01 -0.112478D+02  0.906688D+01
      5   0.437490D+02 -0.839042D+01 -0.429473D+02  0.591443D+01 -0.480469D+01
      6  -0.165235D+01  0.373805D+01  0.180012D+01 -0.637130D+01  0.307041D+01
               246           247           248           249           250 
      1   0.983610D+00 -0.921415D+01 -0.477703D+01  0.459602D+01 -0.221884D+00
      2  -0.122311D+01  0.355981D+01  0.689160D+01 -0.113606D+01 -0.181243D+01
      3   0.239503D+00  0.565433D+01 -0.211457D+01 -0.345995D+01  0.203431D+01
      4  -0.441367D+01  0.129374D+02 -0.286736D+02  0.134111D+02 -0.545655D+01
      5   0.783955D+01 -0.664707D+01  0.136852D+02 -0.132583D+02  0.114580D+02
      6  -0.190615D+01  0.527445D+01 -0.161695D+02  0.102020D+02 -0.361446D+01
               251           252           253           254           255 
      1   0.228190D+01 -0.304182D+01 -0.307814D+02 -0.120717D+02 -0.459982D+02
      2   0.108562D+01 -0.350342D+01  0.356624D+02  0.112085D+02  0.144971D+02
      3  -0.336752D+01  0.654524D+01 -0.488108D+01  0.863163D+00  0.315010D+02
      4   0.132483D+02 -0.101646D+02 -0.193225D+02  0.212394D+01 -0.132325D+02
      5  -0.973601D+01  0.153653D+02 -0.581922D+02 -0.910439D+01 -0.154943D+02
      6   0.105312D+02 -0.825711D+01 -0.124670D+02  0.812291D+00 -0.446340D+00
               256           257           258           259           260 
      1  -0.257950D+01  0.312815D+01 -0.144733D+02 -0.382141D+02 -0.124041D+02
      2   0.346131D+01 -0.201846D+02  0.925711D+01  0.106967D+02  0.146190D+02
      3  -0.881811D+00  0.170565D+02  0.521619D+01  0.275174D+02 -0.221490D+01
      4   0.120360D+02 -0.711222D+01  0.187395D+02 -0.521738D+01  0.175156D+02
      5   0.286810D+01  0.228642D+02  0.110606D+02 -0.246483D+01  0.340217D+01
      6   0.104948D+02  0.391191D+01  0.174377D+02  0.602543D+01  0.131010D+02
               261           262           263           264           265 
      1   0.112119D+02  0.388985D+02 -0.102241D+02 -0.252461D+02  0.447102D+01
      2   0.473717D+01 -0.254306D+02  0.573281D+01  0.181421D+02 -0.563457D+01
      3  -0.159491D+02 -0.134679D+02  0.449133D+01  0.710407D+01  0.116355D+01
      4   0.874794D+01 -0.187094D+02  0.120744D+02  0.120701D+02  0.595101D+01
      5   0.229919D+01 -0.364410D+02  0.105592D+02  0.312935D+02 -0.509191D+01
      6   0.348390D+01  0.658290D+01 -0.330763D+01 -0.565055D+01 -0.201090D+01
               266           267           268           269           270 
      1   0.199091D+01 -0.440182D+01 -0.308734D+02  0.794766D+01  0.234421D+02
      2  -0.493869D+00  0.529796D+01  0.249836D+02 -0.562394D+01 -0.253452D+02
      3  -0.149704D+01 -0.896138D+00  0.588979D+01 -0.232372D+01  0.190315D+01
      4  -0.684336D+01 -0.451382D+01  0.178975D+02 -0.148031D+02 -0.178544D+02
      5  -0.468040D+01  0.459667D+01  0.456087D+02 -0.156148D+02 -0.520252D+02
      6   0.243824D+01  0.298410D+01 -0.810155D+01  0.619050D+01  0.106913D+02
               271           272           273           274           275 
      1   0.814587D+00  0.754734D+01  0.377399D+01  0.752255D+01 -0.172224D+02
      2   0.132180D+01 -0.671960D+01  0.302187D-01 -0.446807D+01  0.349210D+02
      3  -0.213639D+01 -0.827736D+00 -0.380421D+01 -0.305448D+01 -0.176986D+02
      4   0.414261D+01  0.775188D+00  0.801057D+00  0.577798D+01  0.287581D+02
      5   0.244736D+01  0.285832D+01  0.100305D+01  0.488847D+01 -0.538686D+01
      6   0.183696D+01 -0.199759D+01 -0.129646D+01  0.582782D+00  0.141002D+02
               276           277           278           279           280 
      1  -0.239073D+00 -0.128902D+01  0.462061D+01 -0.262225D+01  0.672655D+02
      2  -0.653568D+01  0.210747D+01 -0.105574D+02  0.483500D+01 -0.478908D+02
      3   0.677475D+01 -0.818457D+00  0.593676D+01 -0.221276D+01 -0.193747D+02
      4  -0.216177D+01 -0.192437D+01 -0.103973D+02  0.116711D+01  0.279498D+02
      5   0.780133D+01 -0.156911D+01  0.257044D+01 -0.729637D+01  0.653846D+02
      6   0.365267D+01 -0.147714D+01 -0.184365D+01 -0.261512D+01  0.129225D+02
               281           282           283           284           285 
      1   0.730243D+01  0.233504D+02  0.959942D+00  0.535720D+01  0.160302D+01
      2  -0.416821D+01 -0.231932D+02  0.150593D+01 -0.912644D+00  0.801396D-01
      3  -0.313422D+01 -0.157248D+00 -0.246588D+01 -0.444455D+01 -0.168316D+01
      4   0.151572D+02  0.139935D+02  0.121837D+02  0.635129D+01  0.466976D+01
      5   0.126570D+02  0.397453D+02  0.263308D+01  0.602792D+01  0.749068D+00
      6   0.889785D+01  0.968489D+01  0.650487D+01  0.300255D+01  0.360884D+01
               286           287           288           289           290 
      1   0.168984D+02  0.213323D+01  0.817853D+01 -0.144002D+02  0.524209D+01
      2  -0.185111D+02 -0.304666D+01 -0.162750D+02 -0.196362D+01 -0.281678D+01
      3   0.161267D+01  0.913424D+00  0.809652D+01  0.163639D+02 -0.242531D+01
      4   0.970696D+01  0.442688D+01  0.659421D+01 -0.286014D+01 -0.252754D+01
      5   0.332142D+02  0.628473D+01  0.275373D+02  0.110373D+01 -0.108819D+01
      6   0.681103D+01  0.399848D+01  0.696460D+01  0.367389D+01 -0.552343D+01
               291           292           293           294           295 
      1   0.267825D+02 -0.128485D+01 -0.593000D+01  0.245510D+01  0.180824D+02
      2   0.207797D+01 -0.453294D-01  0.252207D+01  0.246184D+01 -0.133240D+01
      3  -0.288604D+02  0.133018D+01  0.340794D+01 -0.491693D+01 -0.167500D+02
      4   0.285148D+01 -0.100217D+01 -0.503876D+00  0.362744D+00  0.452402D+01
      5  -0.265147D+01 -0.809785D+00 -0.179789D+01 -0.428301D+01  0.445332D+01
      6  -0.731459D+01 -0.337811D+01  0.666637D+00  0.465183D+01 -0.285968D+01
               296           297 
      1  -0.365406D+01 -0.350604D+02
      2   0.787171D-01 -0.121388D+02
      3   0.357534D+01  0.471992D+02
      4   0.162576D+01 -0.232597D+01
      5   0.216324D+01  0.165672D+02
      6   0.643190D+01  0.115580D+02
 Leave Link  716 at Wed Sep  8 13:49:52 2021, MaxMem=  6442450944 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.215738D+03  0.632354D+01  0.782381D+01
      2   0.632354D+01  0.153118D+03 -0.866225D+01
      3   0.782381D+01 -0.866225D+01  0.138286D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.719362D+01  0.387984D+01 -0.311616D+00
      2  -0.117768D+02  0.998883D+01 -0.481710D+02
      3  -0.365318D+02  0.487462D+02 -0.185593D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.186751D+03  0.208980D+02 -0.452410D+02
      2   0.799002D+02 -0.229799D+02 -0.966026D+00
      3   0.106850D+03  0.208198D+01  0.462070D+02
      4   0.292260D+02 -0.106209D+03  0.288512D+02
      5   0.120493D+02  0.315798D+02 -0.915385D+02
      6   0.744921D+01  0.229503D+02  0.269507D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.110379D+02  0.165883D+01  0.267201D+01  0.133961D+02 -0.292867D+00
      2   0.165883D+01 -0.184749D+01 -0.106521D-01 -0.292867D+00  0.207535D+01
      3   0.267201D+01 -0.106521D-01  0.704426D+00  0.142148D+01  0.973850D+00
                 6             7             8             9            10 
      1   0.142148D+01 -0.532355D+00 -0.195102D+01  0.347142D-01 -0.325460D+02
      2   0.973850D+00 -0.195102D+01  0.808568D+00  0.720990D+00 -0.131838D+00
      3  -0.766321D+00  0.347142D-01  0.720990D+00 -0.411173D+01 -0.404217D+01
                11            12            13            14            15 
      1  -0.131838D+00 -0.404217D+01  0.449140D+00 -0.148399D+01 -0.175732D+01
      2  -0.250367D+01  0.813689D+00 -0.148399D+01 -0.163631D+01 -0.410271D+00
      3   0.813689D+00 -0.188073D+01 -0.175732D+01 -0.410271D+00 -0.110099D+01
                16            17            18            19            20 
      1  -0.857304D+01 -0.171409D+01 -0.448315D+01 -0.866197D+01 -0.830962D+00
      2  -0.171409D+01 -0.778377D+00 -0.631080D+00 -0.830962D+00  0.687864D+00
      3  -0.448315D+01 -0.631080D+00 -0.307084D+01 -0.289208D+01 -0.143800D+01
                21            22            23            24            25 
      1  -0.289208D+01  0.108317D+02  0.645455D+00  0.303370D+01 -0.113859D+02
      2  -0.143800D+01  0.645455D+00  0.293116D+01  0.121722D+01 -0.108616D+01
      3   0.201453D+01  0.303370D+01  0.121722D+01  0.915915D+00 -0.809202D+00
                26            27            28            29            30 
      1  -0.108616D+01 -0.809202D+00  0.293720D+02  0.206511D+01  0.529351D+01
      2   0.204362D+01  0.771839D+00  0.206511D+01  0.238708D+01 -0.943037D-01
      3   0.771839D+00 -0.184451D+01  0.529351D+01 -0.943037D-01  0.263821D+01
                31            32            33            34            35 
      1   0.170575D+01  0.131403D+01  0.193010D+01  0.581443D+01  0.234043D+01
      2   0.131403D+01 -0.524694D+00  0.812798D+00  0.234043D+01  0.195993D+01
      3   0.193010D+01  0.812798D+00  0.206531D+01  0.568695D+01  0.877733D+00
                36            37            38            39            40 
      1   0.568695D+01 -0.125437D+02 -0.147048D+01 -0.345310D+01 -0.151621D+02
      2   0.877733D+00 -0.147048D+01  0.333260D+01 -0.111549D-01 -0.115999D+01
      3   0.236465D+01 -0.345310D+01 -0.111549D-01 -0.929760D+00 -0.140059D+01
                41            42            43            44            45 
      1  -0.115999D+01 -0.140059D+01 -0.227691D+00  0.197314D+01  0.415589D+00
      2  -0.160162D+01 -0.155361D+01  0.197314D+01 -0.881368D+00 -0.102305D+01
      3  -0.155361D+01  0.545252D-01  0.415589D+00 -0.102305D+01  0.427101D+01
                46            47            48            49            50 
      1   0.100362D+02  0.635912D+00  0.307725D+01 -0.958279D+01  0.848823D+00
      2   0.635912D+00 -0.166019D+01  0.158573D+01  0.848823D+00 -0.218562D+01
      3   0.307725D+01  0.158573D+01 -0.164334D+01 -0.283714D+01 -0.117882D+01
                51            52            53            54            55 
      1  -0.283714D+01  0.127741D+02  0.440462D+00 -0.430957D-01  0.201269D+02
      2  -0.117882D+01  0.440462D+00 -0.360798D+01 -0.118443D+01 -0.164320D+01
      3  -0.108329D+01 -0.430957D-01 -0.118443D+01  0.140163D+01 -0.764827D+00
                56            57            58            59            60 
      1  -0.164320D+01 -0.764827D+00 -0.490082D+01  0.370726D+01  0.138248D+01
      2   0.205732D+01  0.951807D+00  0.370726D+01  0.500932D+01  0.227505D+01
      3   0.951807D+00  0.159924D+01  0.138248D+01  0.227505D+01 -0.278313D+01
                61            62            63            64            65 
      1  -0.540203D+01  0.164614D+01  0.374797D+01 -0.221544D+01  0.314054D+01
      2   0.164614D+01  0.895475D+00 -0.216205D+01  0.314054D+01 -0.120005D+01
      3   0.374797D+01 -0.216205D+01  0.491753D+01  0.570827D+01 -0.790995D+00
                66            67            68            69            70 
      1   0.570827D+01  0.869382D+01 -0.131972D+01 -0.996776D+00  0.153883D+02
      2  -0.790995D+00 -0.131972D+01 -0.477089D+01 -0.734363D+00 -0.185216D+01
      3   0.413792D+00 -0.996776D+00 -0.734363D+00  0.347877D+01  0.578609D+00
                71            72            73            74            75 
      1  -0.185216D+01  0.578609D+00  0.521397D+00 -0.326924D+01 -0.467424D+01
      2  -0.996657D+00  0.361041D+01 -0.326924D+01  0.190825D+01  0.129471D+01
      3   0.361041D+01 -0.143361D+01 -0.467424D+01  0.129471D+01  0.257826D+00
                76            77            78            79            80 
      1  -0.387757D+01  0.100248D+01  0.882934D+00 -0.668638D+01  0.177559D+01
      2   0.100248D+01  0.282988D+01  0.910529D+00  0.177559D+01  0.127731D+01
      3   0.882934D+00  0.910529D+00 -0.355087D+01  0.794752D+00 -0.458470D+01
                81            82            83            84            85 
      1   0.794752D+00  0.843296D+00 -0.206731D+01 -0.525830D+01 -0.360977D+01
      2  -0.458470D+01 -0.206731D+01  0.137788D+01  0.831505D+00  0.180504D+01
      3   0.271991D+01 -0.525830D+01  0.831505D+00  0.969974D+00  0.191536D+01
                86            87            88            89            90 
      1   0.180504D+01  0.191536D+01 -0.679987D+01  0.149937D+01  0.414406D+00
      2   0.649538D+01  0.181228D+00  0.149937D+01  0.130013D+01 -0.292854D+01
      3   0.181228D+00 -0.313856D+01  0.414406D+00 -0.292854D+01  0.537238D+00
                91            92            93            94            95 
      1  -0.663833D+01  0.738918D+00  0.264667D+00 -0.157022D+01 -0.244437D+01
      2   0.738918D+00 -0.129479D+01 -0.582365D+00 -0.244437D+01  0.180735D+01
      3   0.264667D+00 -0.582365D+00 -0.233281D+01 -0.238815D+01 -0.430151D+01
                96            97            98            99           100 
      1  -0.238815D+01  0.554121D+01 -0.157456D+01 -0.570164D+01 -0.345123D+01
      2  -0.430151D+01 -0.157456D+01 -0.327842D+01 -0.509351D+00 -0.234426D+01
      3  -0.240823D+01 -0.570164D+01 -0.509351D+00 -0.825403D+00 -0.194965D+00
               101           102           103           104           105 
      1  -0.234426D+01 -0.194965D+00 -0.620717D+01 -0.236748D+01  0.272108D+01
      2  -0.133106D+01  0.372025D+00 -0.236748D+01 -0.231189D+01  0.251381D+01
      3   0.372025D+00  0.160010D+01  0.272108D+01  0.251381D+01 -0.182436D+01
               106           107           108           109           110 
      1   0.341816D+00  0.114140D+01  0.220602D+01  0.603820D+01  0.380459D+01
      2   0.114140D+01  0.243191D+01 -0.664257D+00  0.380459D+01  0.238404D+01
      3   0.220602D+01 -0.664257D+00 -0.194371D+01 -0.155549D+01 -0.440978D+00
               111           112           113           114           115 
      1  -0.155549D+01  0.114836D+02  0.420922D+01 -0.207583D+01 -0.503537D+01
      2  -0.440978D+00  0.420922D+01  0.798889D+01 -0.168812D+01 -0.123496D+01
      3   0.593835D+00 -0.207583D+01 -0.168812D+01  0.328513D+01  0.174030D+01
               116           117           118           119           120 
      1  -0.123496D+01  0.174030D+01 -0.654881D+00 -0.809070D+00  0.243608D+01
      2  -0.231346D+01  0.227327D+01 -0.809070D+00  0.215867D-01 -0.793789D+00
      3   0.227327D+01 -0.225729D+01  0.243608D+01 -0.793789D+00 -0.316367D+01
               121           122           123           124           125 
      1  -0.586109D+01  0.199901D+01  0.193078D+00  0.271332D+01 -0.121954D+01
      2   0.199901D+01 -0.500465D+01 -0.160022D+01 -0.121954D+01  0.173359D+00
      3   0.193078D+00 -0.160022D+01 -0.983954D+00 -0.352959D+01 -0.239405D+00
               126           127           128           129           130 
      1  -0.352959D+01 -0.170907D+01  0.135662D+01 -0.121506D+01  0.144398D+01
      2  -0.239405D+00  0.135662D+01 -0.969649D+00  0.951352D+00 -0.155417D+01
      3   0.367892D+01 -0.121506D+01  0.951352D+00 -0.119662D+01  0.116207D+01
               131           132           133           134           135 
      1  -0.155417D+01  0.116207D+01 -0.179699D+01  0.165402D+01 -0.128203D+01
      2   0.414566D+01 -0.284442D+01  0.165402D+01 -0.279508D+01  0.222558D+01
      3  -0.284442D+01  0.286627D+01 -0.128203D+01  0.222558D+01 -0.247171D+01
               136           137           138           139           140 
      1   0.350781D+01  0.204596D+01 -0.404100D+00  0.254427D+01  0.260488D+01
      2   0.204596D+01  0.205845D+01 -0.374478D+00  0.260488D+01  0.446359D+01
      3  -0.404100D+00 -0.374478D+00  0.531050D+00 -0.987095D+00 -0.147987D+01
               141           142           143           144           145 
      1  -0.987095D+00 -0.740468D+00 -0.776891D+00  0.438373D+00  0.182203D+01
      2  -0.147987D+01 -0.776891D+00 -0.191321D+01  0.789681D+00 -0.148803D+01
      3   0.120030D+01  0.438373D+00  0.789681D+00 -0.719600D+00  0.147016D+01
               146           147           148           149           150 
      1  -0.148803D+01  0.147016D+01 -0.144288D+01  0.178668D+01 -0.125382D+01
      2   0.142579D+01 -0.116944D+01  0.178668D+01 -0.534028D+01  0.306696D+01
      3  -0.116944D+01  0.130028D+01 -0.125382D+01  0.306696D+01 -0.273452D+01
               151           152           153           154           155 
      1   0.137313D+01 -0.162035D+01  0.118263D+01 -0.323710D+01 -0.245732D+01
      2  -0.162035D+01  0.331694D+01 -0.224713D+01 -0.245732D+01 -0.284717D+01
      3   0.118263D+01 -0.224713D+01  0.202419D+01  0.540053D+00  0.409763D+00
               156           157           158           159           160 
      1   0.540053D+00 -0.297247D+01 -0.327040D+01  0.101092D+01  0.682294D+00
      2   0.409763D+00 -0.327040D+01 -0.601489D+01  0.145877D+01  0.700046D+00
      3  -0.304056D+00  0.101092D+01  0.145877D+01 -0.104429D+01 -0.376493D+00
               161           162           163           164           165 
      1   0.700046D+00 -0.376493D+00 -0.302856D+01 -0.169615D+01 -0.390806D+00
      2   0.202363D+01 -0.764667D+00 -0.169615D+01 -0.162066D+01 -0.732740D+00
      3  -0.764667D+00  0.484219D+00 -0.390806D+00 -0.732740D+00 -0.778169D+00
               166           167           168           169           170 
      1  -0.445206D+01 -0.277087D+01 -0.144146D+01  0.190555D+01 -0.639287D+00
      2  -0.277087D+01 -0.701618D+01 -0.258771D+01 -0.639287D+00 -0.104852D+01
      3  -0.144146D+01 -0.258771D+01 -0.175726D+01 -0.794191D+00 -0.113947D+01
               171           172           173           174           175 
      1  -0.794191D+00 -0.149542D+01  0.716629D+00 -0.119966D+01  0.404572D+01
      2  -0.113947D+01  0.716629D+00 -0.400923D+00  0.342320D-01 -0.931591D+00
      3  -0.141688D+01 -0.119966D+01  0.342320D-01 -0.985121D+00  0.959211D+00
               176           177           178           179           180 
      1  -0.931591D+00  0.959211D+00 -0.226753D+01  0.269132D+00 -0.253173D+01
      2   0.582592D+00 -0.146489D+01  0.269132D+00 -0.105818D+01  0.122277D+01
      3  -0.146489D+01  0.284359D+01 -0.253173D+01  0.122277D+01 -0.833225D+01
               181           182           183           184           185 
      1  -0.113364D+02 -0.112637D+01 -0.379074D+01 -0.226005D+01 -0.161205D+01
      2  -0.112637D+01 -0.116686D+01 -0.188364D+00 -0.161205D+01  0.436255D-01
      3  -0.379074D+01 -0.188364D+00 -0.230408D+01 -0.106925D+00 -0.565062D+00
               186           187           188           189           190 
      1  -0.106925D+00 -0.588634D+01  0.494345D-01 -0.280061D+01 -0.251905D+00
      2  -0.565062D+00  0.494345D-01 -0.636268D+00 -0.727444D+00  0.102061D+01
      3  -0.794081D+00 -0.280061D+01 -0.727444D+00 -0.222480D+01 -0.475030D+00
               191           192           193           194           195 
      1   0.102061D+01 -0.475030D+00  0.993035D+00 -0.619924D+00  0.219670D+00
      2  -0.297741D+00 -0.961287D-03 -0.619924D+00  0.301672D+01 -0.224301D+01
      3  -0.961287D-03 -0.238150D+00  0.219670D+00 -0.224301D+01  0.242697D+01
               196           197           198           199           200 
      1  -0.109574D+01  0.559092D+00 -0.502817D+00  0.579190D+01  0.240236D+00
      2   0.559092D+00 -0.365282D+01  0.327922D+01  0.240236D+00  0.193972D+01
      3  -0.502817D+00  0.327922D+01 -0.534422D+01  0.157986D+01  0.474623D+00
               201           202           203           204           205 
      1   0.157986D+01  0.563606D+00  0.816437D+00  0.219380D+00  0.213868D+01
      2   0.474623D+00  0.816437D+00  0.928175D+00  0.406893D+00  0.282946D+00
      3   0.141627D+01  0.219380D+00  0.406893D+00  0.751048D+00  0.928412D+00
               206           207           208           209           210 
      1   0.282946D+00  0.928412D+00 -0.625664D+01  0.365686D+01  0.259972D+01
      2   0.104921D+01  0.112639D+01  0.365686D+01 -0.322392D+01 -0.131330D+01
      3   0.112639D+01  0.128574D+01  0.259972D+01 -0.131330D+01 -0.178095D+01
               211           212           213           214           215 
      1   0.247994D+01 -0.264891D+01 -0.111063D+01  0.351637D+01 -0.208183D+01
      2  -0.264891D+01  0.261853D+01  0.115955D+01 -0.208183D+01  0.217367D+01
      3  -0.111063D+01  0.115955D+01  0.118020D+01 -0.231054D+01  0.200603D+01
               216           217           218           219           220 
      1  -0.231054D+01  0.585908D+01  0.446291D+00  0.127900D+01  0.551892D+00
      2   0.200603D+01  0.446291D+00  0.768695D+00 -0.150758D+00  0.248651D+00
      3   0.197136D+01  0.127900D+01 -0.150758D+00  0.242790D+01  0.465450D-01
               221           222           223           224           225 
      1   0.248651D+00  0.465450D-01  0.199025D+01 -0.611500D-01  0.119384D+01
      2  -0.429956D+00  0.462956D+00 -0.611500D-01  0.530718D+00  0.159508D+00
      3   0.462956D+00  0.727324D+00  0.119384D+01  0.159508D+00  0.270754D+01
               226           227           228           229           230 
      1  -0.112011D+01 -0.128472D+01  0.680060D+00 -0.197948D+01 -0.211852D+01
      2  -0.128472D+01 -0.144735D+01  0.628365D-01 -0.211852D+01 -0.850536D+01
      3   0.680060D+00  0.628365D-01 -0.404083D+00  0.422556D+00  0.910043D+00
               231           232           233           234           235 
      1   0.422556D+00  0.209200D+00 -0.116846D+00 -0.264582D+00 -0.695289D+01
      2   0.910043D+00 -0.116846D+00 -0.460902D+00 -0.646374D+00  0.933424D+00
      3  -0.127366D+01 -0.264582D+00 -0.646374D+00 -0.491624D-01  0.433685D+01
               236           237           238           239           240 
      1   0.933424D+00  0.433685D+01  0.262323D+01 -0.144795D+01 -0.162785D+01
      2  -0.123531D+01 -0.474020D+00 -0.144795D+01  0.463242D+00  0.842840D+00
      3  -0.474020D+00 -0.329200D+01 -0.162785D+01  0.842840D+00  0.196894D+01
               241           242           243           244           245 
      1   0.397566D+01 -0.599661D+00 -0.352004D+01 -0.242298D+00 -0.161668D+01
      2  -0.599661D+00  0.552405D+00  0.814026D+00 -0.161668D+01  0.872612D+00
      3  -0.352004D+01  0.814026D+00  0.384373D+01  0.440362D+00 -0.393941D+00
               246           247           248           249           250 
      1   0.440362D+00 -0.270649D+01  0.144207D+01 -0.769910D+00  0.695428D+00
      2  -0.393941D+00  0.144207D+01 -0.447639D+01  0.199338D+01 -0.550541D+00
      3   0.758564D+00 -0.769910D+00  0.199338D+01 -0.200503D+01  0.139569D+01
               251           252           253           254           255 
      1  -0.550541D+00  0.139569D+01 -0.765540D+01 -0.182825D+01 -0.649872D+01
      2   0.207222D+01 -0.146908D+01 -0.182825D+01  0.571134D+00 -0.580265D+00
      3  -0.146908D+01  0.248979D+01 -0.649872D+01 -0.580265D+00  0.118746D+01
               256           257           258           259           260 
      1   0.301474D+01  0.235952D+01  0.139057D+01 -0.300741D+01  0.623502D+00
      2   0.235952D+01 -0.142662D+01  0.371139D+01  0.623502D+00  0.352940D+01
      3   0.139057D+01  0.371139D+01  0.279597D+01  0.282484D+01  0.109442D+01
               261           262           263           264           265 
      1   0.282484D+01  0.469043D+01 -0.166735D+01 -0.341565D+01  0.516348D+00
      2   0.109442D+01 -0.166735D+01  0.128231D+01  0.105686D+01  0.581287D+00
      3  -0.926642D+00 -0.341565D+01  0.105686D+01  0.315207D+01 -0.482161D+00
               266           267           268           269           270 
      1   0.581287D+00 -0.482161D+00 -0.462768D+01  0.161986D+01  0.469564D+01
      2  -0.835396D+00 -0.496718D+00  0.161986D+01 -0.168959D+01 -0.174897D+01
      3  -0.496718D+00  0.378310D+00  0.469564D+01 -0.174897D+01 -0.573823D+01
               271           272           273           274           275 
      1   0.381657D+00  0.829878D+00  0.180122D+00  0.147851D+01  0.672617D-01
      2   0.829878D+00 -0.689085D+00 -0.182583D-01  0.672617D-01  0.587332D+01
      3   0.180122D+00 -0.182583D-01 -0.415782D+00  0.257532D+00 -0.473016D+00
               276           277           278           279           280 
      1   0.257532D+00 -0.829818D+00 -0.149161D+00 -0.543437D+00  0.117329D+02
      2  -0.473016D+00 -0.149161D+00 -0.198451D+01  0.373019D+00  0.222468D+01
      3   0.134811D+01 -0.543437D+00  0.373019D+00 -0.109184D+01  0.538999D+01
               281           282           283           284           285 
      1   0.222468D+01  0.538999D+01  0.346675D+00  0.111204D+01  0.170451D+00
      2   0.156847D+01  0.135558D+01  0.111204D+01  0.628759D+00  0.381534D+00
      3   0.135558D+01  0.360613D+01  0.170451D+00  0.381534D+00 -0.172089D+00
               286           287           288           289           290 
      1   0.375051D+01  0.747274D+00  0.284916D+01 -0.176439D+01  0.216149D+00
      2   0.747274D+00  0.296321D+00  0.677983D+00  0.216149D+00 -0.907878D+00
      3   0.284916D+01  0.677983D+00  0.292320D+01  0.227699D+01 -0.635951D+00
               291           292           293           294           295 
      1   0.227699D+01 -0.576987D+00 -0.507345D+00 -0.103454D+00  0.208442D+01
      2  -0.635951D+00 -0.507345D+00  0.179170D+00  0.342806D+00 -0.936460D-01
      3  -0.352234D+01 -0.103454D+00  0.342806D+00 -0.866034D+00 -0.163475D+01
               296           297 
      1  -0.936460D-01 -0.163475D+01
      2   0.660518D+00  0.647139D+00
      3   0.647139D+00  0.618177D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.123825D+01  0.347924D+01 -0.156491D+00  0.574973D+01  0.866649D+00
      2   0.437161D+01 -0.441638D+01  0.431120D+01 -0.174076D+01 -0.577498D+01
      3  -0.153471D+02 -0.721125D+01  0.210684D+01 -0.243646D+01 -0.245452D+01
                 6             7             8             9            10 
      1  -0.193232D+01  0.548718D+01  0.264042D+01  0.112732D+01 -0.476714D+01
      2   0.195843D+01 -0.120053D+02 -0.348998D+01  0.785247D+00 -0.779766D+01
      3   0.105712D+01  0.577568D+01  0.939712D+00 -0.680150D+00  0.205982D+02
                11            12            13            14            15 
      1  -0.237800D+01  0.680072D+00 -0.101860D+02  0.490294D+01 -0.190835D+01
      2   0.157227D+01 -0.241456D+01  0.762939D+01  0.444893D+01 -0.176881D+01
      3   0.158297D+01  0.187934D+01  0.212052D+02  0.211993D+01  0.220140D+01
                16            17            18            19            20 
      1   0.338283D+01  0.664908D+01 -0.554966D+01 -0.129797D+00 -0.954702D+00
      2  -0.157407D+02 -0.172531D+01 -0.100095D+00  0.551778D+01 -0.639732D+00
      3  -0.102985D+01  0.175005D+01  0.641230D+00  0.802275D+01 -0.425597D+01
                21            22            23            24            25 
      1  -0.620400D-02 -0.178778D+01 -0.202022D+01 -0.270335D+01 -0.684145D+01
      2   0.161104D+01 -0.720168D+01  0.223663D+01 -0.101596D+01 -0.985209D+01
      3   0.321530D+01 -0.213242D+01  0.803710D+00 -0.169113D+01  0.113426D+02
                26            27            28            29            30 
      1   0.153427D+01 -0.436433D+01  0.208756D+01 -0.469242D+01  0.367826D+01
      2   0.170570D+01 -0.277559D+01  0.441636D+01  0.216874D+01  0.793312D-01
      3  -0.155750D+01  0.531977D+01 -0.164528D+02  0.607375D+00 -0.481795D+01
                31            32            33            34            35 
      1  -0.697658D+01  0.395897D+01 -0.146448D+01  0.841631D+01  0.719118D+01
      2   0.601154D+01  0.462983D+01  0.207044D+01 -0.113487D+02 -0.902396D+00
      3   0.238178D+02  0.406468D+01  0.185141D+01 -0.105625D+02  0.107478D+01
                36            37            38            39            40 
      1  -0.174116D+01 -0.315747D+01  0.111642D+01 -0.110135D+01  0.820045D+00
      2  -0.549361D+01  0.479104D-01 -0.403873D+01  0.369100D+01  0.534421D-01
      3  -0.652043D+01  0.445771D+01 -0.439332D+01  0.534216D+01  0.131880D+02
                41            42            43            44            45 
      1   0.538633D+00 -0.175314D+01  0.373827D+01  0.126604D+01  0.463075D+01
      2  -0.426857D+01 -0.574359D+00 -0.951999D+01 -0.312995D+01  0.976588D+00
      3  -0.312775D+00  0.370491D+01  0.528772D+01  0.389039D+00  0.446908D+00
                46            47            48            49            50 
      1   0.453777D+01  0.128953D+01 -0.203076D+01 -0.480124D+01 -0.727438D+00
      2   0.666254D+01 -0.124044D+01  0.174226D+01 -0.850976D+01  0.226933D+01
      3  -0.734659D+01 -0.413787D+01 -0.168355D+01  0.996307D+01 -0.428625D+00
                51            52            53            54            55 
      1  -0.355707D+01 -0.703992D+01  0.258006D+01 -0.179632D+01  0.315557D+01
      2  -0.119549D+00 -0.648168D+01  0.284036D+01 -0.274969D+01  0.241056D+02
      3   0.142841D+01 -0.558745D+01 -0.345382D+01  0.168886D+01 -0.185934D+02
                56            57            58            59            60 
      1  -0.315186D+00 -0.141953D+01 -0.371976D+01 -0.698025D+01 -0.703229D+01
      2  -0.509315D+01 -0.311672D+01 -0.103345D+02 -0.110866D+01  0.112846D+02
      3   0.510035D+01  0.343857D+01  0.244113D+02  0.145888D+02  0.715306D+01
                61            62            63            64            65 
      1  -0.192896D+01 -0.139351D+01  0.743381D+01 -0.263217D+01 -0.189697D+00
      2  -0.278846D+02  0.108743D+02 -0.118986D+02 -0.348098D+02  0.479349D+01
      3   0.936231D+01  0.255497D+01 -0.115826D+02  0.205689D+02 -0.851922D+01
                66            67            68            69            70 
      1   0.424006D+00  0.454959D+01  0.473191D+00 -0.406327D+01  0.183795D-01
      2   0.250790D+01  0.122841D+02  0.448556D+00 -0.141622D+02  0.609291D+01
      3  -0.284476D+01 -0.437743D+01 -0.202085D+02 -0.403977D+01 -0.137993D+02
                71            72            73            74            75 
      1   0.339310D+01 -0.482444D+00  0.937009D+01 -0.283857D+01 -0.101772D+01
      2  -0.161900D+02  0.656759D+01  0.206712D+02 -0.456899D+01  0.867107D+00
      3  -0.482953D+01  0.165476D+02 -0.178165D+02 -0.287484D+01 -0.415547D+01
                76            77            78            79            80 
      1  -0.214618D+01 -0.259626D+01  0.638206D+01 -0.351120D+01  0.135399D+02
      2  -0.415036D+01 -0.323832D+01  0.138334D+02 -0.571764D+01  0.179944D+02
      3  -0.222958D+01  0.151085D+02  0.594046D+01 -0.459420D+01  0.887298D+01
                81            82            83            84            85 
      1  -0.625712D+01 -0.578190D+01  0.304253D+01  0.259913D+01  0.561921D+01
      2  -0.106217D+02  0.261659D+02 -0.246465D+01  0.786366D+01 -0.539444D+01
      3  -0.180773D+02 -0.889093D+01  0.514897D+01  0.847306D+01  0.118880D+02
                86            87            88            89            90 
      1   0.120196D+02 -0.510745D+01  0.379791D+01  0.153437D+01 -0.470540D+01
      2  -0.247605D+01  0.114599D+02  0.602314D+01  0.111148D+02 -0.361922D+01
      3   0.269265D+02 -0.118248D+00  0.126946D+02  0.501359D+01 -0.136191D+02
                91            92            93            94            95 
      1  -0.193408D+01 -0.214175D+01 -0.395329D+00 -0.583319D+01  0.195869D+01
      2   0.143255D+02 -0.143495D+01 -0.134892D+01 -0.461212D+01 -0.110658D+02
      3  -0.498793D+00 -0.102384D+01  0.194140D+01  0.158150D+02 -0.653628D+01
                96            97            98            99           100 
      1  -0.896421D+01  0.157155D+01  0.253942D-01  0.189404D+00  0.267723D+01
      2  -0.437005D+01 -0.328610D+02 -0.146421D+01  0.152155D+01 -0.261298D+02
      3   0.146063D+02  0.426036D+01  0.115532D+02  0.293422D+01  0.516026D+01
               101           102           103           104           105 
      1   0.666224D+01  0.256753D+01  0.318772D+01  0.245650D+01  0.633229D+01
      2   0.331227D+01  0.854836D+01  0.125834D+02  0.890562D+01 -0.906368D+01
      3   0.151510D+01 -0.177816D+01  0.801231D+01  0.126896D+02 -0.100616D+02
               106           107           108           109           110 
      1  -0.138916D+01  0.458928D+01  0.113032D-01 -0.174479D+01 -0.332333D+01
      2  -0.252277D+01 -0.342205D+01  0.595210D+01  0.128858D+01 -0.142417D+01
      3  -0.171541D+01 -0.179311D+02  0.834748D+00 -0.104802D+02 -0.117391D+02
               111           112           113           114           115 
      1  -0.322363D+01 -0.218378D+00 -0.562540D+01 -0.758030D+01 -0.976467D+00
      2   0.545609D+01 -0.120548D+02 -0.810602D+01  0.139793D+02  0.797232D+01
      3   0.143713D+01 -0.605060D+01 -0.332415D+02  0.560164D+01 -0.715965D+00
               116           117           118           119           120 
      1   0.345789D+01  0.167837D+01  0.289218D+01 -0.899253D+00 -0.101326D+01
      2   0.944978D+01 -0.122999D+02  0.112450D+02 -0.416082D+01 -0.831560D+01
      3   0.121908D+02 -0.834627D+01  0.371324D+01 -0.225775D+01  0.929921D+00
               121           122           123           124           125 
      1   0.332659D+01  0.341989D+01 -0.746516D+01 -0.201061D+01  0.161180D+01
      2   0.214587D+01 -0.496861D+01 -0.491167D+01 -0.107689D+02 -0.144696D+01
      3  -0.201333D+00  0.194491D+02  0.391636D+01  0.420212D+01  0.140687D+01
               126           127           128           129           130 
      1   0.295950D+01 -0.872303D+00  0.893176D+00  0.962536D+00  0.130939D+01
      2   0.110589D+02 -0.305290D+01  0.108608D+01 -0.121827D+00  0.221010D+01
      3   0.427753D+01 -0.295217D+01  0.582829D+00 -0.527401D+00  0.234074D+01
               131           132           133           134           135 
      1  -0.331798D+01 -0.119883D+01 -0.153839D+01  0.392419D+01 -0.209720D+00
      2   0.398356D+00 -0.169405D+01 -0.391140D+01  0.342500D+00  0.112032D+01
      3   0.148384D+01 -0.637948D+00 -0.234430D+01 -0.789991D+00  0.195428D+00
               136           137           138           139           140 
      1  -0.163314D+01 -0.240928D+01 -0.156623D+01 -0.112660D+01 -0.163020D+01
      2   0.401679D+01  0.182619D+01  0.740153D+00  0.259569D+01  0.143538D+01
      3   0.578010D+01  0.641393D+00 -0.367979D+00  0.469749D+01 -0.111665D+01
               141           142           143           144           145 
      1  -0.257530D+01 -0.197873D+00  0.185348D+01  0.578262D-01  0.171131D+01
      2   0.117261D+01 -0.501467D+00 -0.462183D+00 -0.673315D+00 -0.113572D+01
      3  -0.197530D+00  0.635857D+00  0.121575D+01  0.205225D+00 -0.434328D+01
               146           147           148           149           150 
      1  -0.531691D+00  0.267863D+01 -0.762828D+00  0.500316D+00 -0.450250D+01
      2   0.214718D+00  0.359901D+00  0.886032D+00  0.670948D+00 -0.192963D+01
      3   0.104371D+01 -0.197637D+01  0.348126D+01 -0.214966D-02  0.943812D+00
               151           152           153           154           155 
      1   0.569363D+00  0.117992D+01  0.207026D+01  0.702120D+00 -0.626360D+00
      2  -0.234885D+01 -0.172538D+00  0.736203D+00  0.141967D+01  0.646568D+00
      3  -0.344741D+01  0.755616D+00 -0.118308D+01  0.655112D+01  0.771942D+00
               156           157           158           159           160 
      1  -0.192171D+01  0.188572D+01  0.168031D+01 -0.389720D+01 -0.113030D+00
      2   0.972383D+00  0.850485D-01  0.313575D+00  0.172690D+01 -0.127962D+01
      3  -0.896015D+00  0.557487D+01 -0.123810D+01 -0.620088D+00  0.603845D-01
               161           162           163           164           165 
      1   0.717133D+00  0.875760D+00  0.184800D+01  0.195056D+01 -0.126279D+00
      2   0.171083D+00 -0.585620D+00 -0.335978D+01 -0.111813D+00  0.314910D+01
      3   0.115813D+01 -0.614995D-01 -0.442617D+01 -0.552874D+01 -0.211773D+01
               166           167           168           169           170 
      1   0.258603D+01  0.903621D+01 -0.476050D+00  0.681379D+00  0.180694D+01
      2  -0.123107D+01  0.379110D+01  0.430078D+01  0.283821D+01  0.217899D+01
      3  -0.315927D+01 -0.215626D+02 -0.772040D+01 -0.371073D+01 -0.320880D+01
               171           172           173           174           175 
      1   0.345794D-01 -0.170188D+01  0.871143D+00 -0.495596D+00  0.157469D+01
      2   0.369294D+01  0.250652D+01  0.570119D+00  0.271155D+01  0.244797D+01
      3  -0.278296D+01  0.471524D+01 -0.317655D+01  0.111187D+01 -0.391901D+01
               176           177           178           179           180 
      1  -0.248969D+01  0.283744D+01 -0.170787D+01  0.544583D+01 -0.662351D+01
      2   0.326480D+01 -0.847628D+01  0.269681D+01 -0.346456D+01  0.238049D+02
      3   0.224654D+01 -0.563532D+01  0.209996D+01 -0.431124D+01  0.684042D+01
               181           182           183           184           185 
      1   0.333186D+00  0.110315D+01 -0.428054D-02  0.207920D+00  0.307123D-01
      2   0.921613D+01  0.618240D-01  0.111054D+02 -0.146958D+01  0.149331D+01
      3  -0.386971D+01 -0.819021D+01 -0.408547D+00 -0.481505D+01  0.826007D+00
               186           187           188           189           190 
      1  -0.669604D+00 -0.126367D+00  0.154988D+01  0.250292D+00  0.651534D+00
      2   0.378762D+01  0.593561D+01  0.372841D+01  0.832413D+01  0.206573D+01
      3  -0.229495D+01  0.174046D+01 -0.332475D+01 -0.331257D+01  0.556450D+01
               191           192           193           194           195 
      1   0.183600D-01  0.149841D+00 -0.222463D+00  0.324688D+01 -0.658529D+01
      2   0.161957D+00  0.116446D+01  0.102866D+00  0.832902D+01 -0.917728D+01
      3  -0.207789D+00 -0.852278D+00  0.133655D+01  0.110514D+02 -0.924404D+01
               196           197           198           199           200 
      1   0.265857D+00 -0.344029D+01  0.119026D+02 -0.284185D+01 -0.254339D+00
      2  -0.125021D+01 -0.119913D+02  0.206018D+02 -0.881692D+01 -0.183761D+01
      3  -0.118378D+01 -0.148203D+02  0.136023D+02  0.195734D+02  0.682641D+01
               201           202           203           204           205 
      1  -0.373225D+01 -0.285068D+00 -0.101115D+01 -0.224824D+01 -0.242374D+01
      2  -0.431219D+01 -0.831397D+00 -0.179474D+01 -0.221411D+01 -0.611175D+01
      3   0.580690D+01  0.734220D+01  0.440426D+01  0.258621D+01  0.599030D+01
               206           207           208           209           210 
      1  -0.570728D+00 -0.253944D+01 -0.578743D+01  0.193085D+01  0.508010D+01
      2  -0.401141D+01 -0.428936D+01 -0.104616D+02  0.530687D+01  0.921802D+01
      3   0.438238D+01  0.703914D+01  0.316700D+01 -0.925886D+01 -0.415929D+00
               211           212           213           214           215 
      1   0.292734D+01 -0.216583D+01 -0.395731D+01  0.494586D+01 -0.241550D+01
      2   0.372620D+01 -0.477147D+01 -0.564711D+01  0.787578D+01 -0.813444D+01
      3  -0.354994D+01  0.659444D+01  0.244369D+01 -0.371629D+00  0.641585D+01
               216           217           218           219           220 
      1  -0.464016D+01  0.464880D+00  0.241381D+01  0.128084D+01  0.114199D+01
      2  -0.883834D+01 -0.209237D+02  0.350187D+00 -0.117594D+02 -0.108786D+00
      3   0.462537D+01 -0.402329D+01  0.179925D+01 -0.188415D+01  0.333128D+01
               221           222           223           224           225 
      1  -0.147831D+00 -0.156094D+00  0.520525D+00  0.200674D+01  0.200762D+01
      2  -0.253879D+01 -0.301197D+01 -0.118463D+02 -0.735411D+00 -0.127925D+02
      3  -0.204967D+01  0.146563D+01 -0.248626D+01  0.108489D+01 -0.604835D+00
               226           227           228           229           230 
      1  -0.118215D+01 -0.203946D+01 -0.536037D+00 -0.221250D+01 -0.122513D+02
      2  -0.294151D+01  0.987878D+00  0.152303D+01  0.732735D+00 -0.295468D+01
      3  -0.522879D+01 -0.562313D+01 -0.165819D+00 -0.354491D+01 -0.354968D+02
               231           232           233           234           235 
      1  -0.315973D+01 -0.199071D+00 -0.168661D+00 -0.107062D+01  0.476648D+01
      2   0.576067D+01 -0.712467D+00  0.252622D+01  0.913327D+00 -0.942069D+01
      3   0.313506D+01 -0.469434D+00 -0.214423D+01 -0.242848D+01  0.866449D+01
               236           237           238           239           240 
      1  -0.378204D+01 -0.294457D+01 -0.313323D+01  0.191398D+01  0.128117D+01
      2   0.545624D+00  0.109866D+02  0.319457D+01 -0.195425D+01 -0.752806D+01
      3  -0.850186D+01 -0.485588D+01 -0.729882D+01  0.343764D+01  0.429011D+01
               241           242           243           244           245 
      1  -0.419417D+01  0.322970D+01  0.358715D+01 -0.197520D+01  0.108377D+01
      2   0.695397D+01 -0.258405D+01 -0.134506D+02  0.161123D+01  0.181807D+00
      3  -0.553990D+01  0.400421D+01  0.592175D+01  0.543080D+01 -0.267293D+01
               246           247           248           249           250 
      1  -0.345907D+00  0.102759D+01 -0.532184D+01 -0.491092D+00 -0.857834D+00
      2   0.267552D+01  0.420659D+00  0.492434D+01 -0.490475D+01  0.187646D+01
      3   0.151217D+01  0.207806D+00  0.133662D+02 -0.574733D+01  0.122352D+01
               251           252           253           254           255 
      1   0.329846D+01 -0.489468D+00  0.374898D+01  0.367920D+01 -0.374637D+01
      2  -0.367691D+01  0.571356D+01 -0.531581D+01  0.113290D+01  0.185037D+02
      3  -0.648773D+01  0.393678D+01 -0.411449D+01 -0.691493D+01 -0.626979D+01
               256           257           258           259           260 
      1   0.438220D+01 -0.100559D+02  0.399076D+01 -0.922603D+00  0.946853D+01
      2   0.246323D+01  0.919806D+01  0.702914D+01  0.153657D+02  0.334135D+01
      3  -0.815258D+01  0.681495D+01 -0.133282D+02 -0.805713D+01 -0.119622D+02
               261           262           263           264           265 
      1   0.558887D+01 -0.263992D+01 -0.726883D+00  0.295135D+01  0.147841D+00
      2  -0.712699D+01 -0.920240D+01  0.396121D+01  0.109232D+02 -0.160742D+01
      3  -0.215684D+01  0.180285D+01 -0.453243D+01 -0.102293D+01 -0.124288D+01
               266           267           268           269           270 
      1  -0.839303D+00 -0.289720D+00  0.394467D+01  0.757259D+00 -0.507701D+01
      2  -0.164280D+01  0.153595D+01  0.139433D+02 -0.599641D+01 -0.213857D+02
      3   0.200648D+01  0.154321D+01 -0.175867D+01  0.609513D+01  0.262534D+01
               271           272           273           274           275 
      1   0.252621D+01 -0.167985D+01  0.145232D+01 -0.915465D+00  0.135498D+02
      2   0.228952D+00 -0.111845D+01 -0.112830D+01 -0.142827D+01 -0.127092D+01
      3  -0.375778D+01  0.270592D+01 -0.640884D+00  0.392755D+01 -0.176598D+02
               276           277           278           279           280 
      1  -0.601000D+01  0.145620D+01 -0.414648D+01  0.481612D+01 -0.126579D+01
      2   0.321390D+01 -0.183313D+01  0.117493D+01 -0.245447D+01 -0.533126D+01
      3   0.232558D+01 -0.262281D+01  0.632552D+01 -0.233101D+01  0.484952D+01
               281           282           283           284           285 
      1   0.326848D+01 -0.168075D+01  0.193444D+01  0.143347D+01 -0.456090D+00
      2   0.823967D+00  0.428973D+01 -0.143744D+00 -0.102286D+01 -0.495475D+00
      3  -0.558286D+01  0.631236D+00 -0.178073D+01 -0.151407D+01 -0.277749D+00
               286           287           288           289           290 
      1  -0.183313D+01  0.978938D+00 -0.211311D+01 -0.266432D+01 -0.301963D+01
      2   0.393196D+00  0.570028D+00  0.475185D+01  0.127286D+02 -0.148895D+01
      3   0.217567D+01 -0.130199D+01  0.651862D+00 -0.364158D+01  0.171437D+01
               291           292           293           294           295 
      1   0.295963D+01 -0.196282D+01 -0.471937D+00  0.237881D+00  0.217908D+01
      2  -0.133403D+02  0.124589D+01  0.219971D+01 -0.204880D+01 -0.113327D+02
      3   0.418990D+01  0.221455D+01 -0.999463D+00 -0.670576D+00  0.314515D+01
               296           297 
      1   0.246829D+01 -0.589627D+01
      2   0.182609D+01  0.207249D+02
      3  -0.106029D+01 -0.464733D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.348046D+01  0.135786D+02 -0.485603D+01 -0.274103D+02  0.155993D+02
      2   0.577650D+01 -0.129086D+02  0.692737D+01  0.170098D+02 -0.471485D+01
      3  -0.229604D+01 -0.670025D+00 -0.207134D+01  0.104005D+02 -0.108844D+02
      4   0.100465D+02  0.425955D+01  0.596008D+01  0.156154D+02  0.125930D+00
      5  -0.965597D+01  0.748137D+01 -0.554482D+01 -0.731335D+01 -0.331944D+01
      6   0.861731D+01  0.159218D+01  0.620306D+00 -0.548848D+01  0.929496D+01
                 6             7             8             9            10 
      1  -0.138649D+02  0.108198D+02  0.388946D+01 -0.102333D+02  0.616268D+02
      2   0.677348D+01 -0.858894D+01  0.196729D+01 -0.973472D+01 -0.322883D+02
      3   0.709146D+01 -0.223084D+01 -0.585674D+01  0.199680D+02 -0.293384D+02
      4  -0.323245D+01  0.993490D+01 -0.725641D+01  0.346034D+01 -0.299145D+01
      5  -0.129033D+01  0.369922D+01  0.342867D+01 -0.132855D+01  0.105265D+02
      6  -0.667513D+01  0.670503D+01 -0.153449D+01  0.414210D+01  0.894724D+00
                11            12            13            14            15 
      1  -0.233070D+01  0.761244D+01 -0.108244D+02 -0.161435D+02  0.597395D+01
      2   0.630654D+01 -0.629353D+01  0.356240D+01  0.124545D+02 -0.105285D+02
      3  -0.397583D+01 -0.131891D+01  0.726196D+01  0.368909D+01  0.455457D+01
      4   0.791476D+01 -0.473181D+01 -0.112720D+02  0.308027D+01  0.580078D+00
      5  -0.404509D+01  0.221320D+01  0.122026D+02 -0.840638D-01  0.114954D+01
      6   0.165530D+01 -0.141712D+01 -0.764092D+00 -0.409370D+01  0.568395D+01
                16            17            18            19            20 
      1   0.293083D+01  0.753210D+01 -0.698626D+01  0.197245D+01 -0.141458D+02
      2  -0.484139D+01 -0.280208D+01 -0.170373D+01 -0.894516D+01  0.591916D+01
      3   0.191056D+01 -0.473001D+01  0.868999D+01  0.697271D+01  0.822668D+01
      4   0.143768D+02  0.280872D+01 -0.362337D-01 -0.133827D+02 -0.757565D+01
      5   0.953645D+01  0.274049D+00  0.485206D+01  0.316271D+01 -0.303362D+01
      6   0.969858D+01  0.110934D+02  0.513113D+01 -0.555581D+01 -0.534121D+01
                21            22            23            24            25 
      1   0.120555D+02  0.196901D+02  0.181120D+01 -0.253636D+01 -0.129026D+02
      2  -0.169169D+01 -0.134160D+02 -0.222147D+01  0.327966D+01  0.130768D+02
      3  -0.103638D+02 -0.627417D+01  0.410266D+00 -0.743292D+00 -0.174228D+00
      4  -0.906565D+00  0.639340D+01 -0.525125D+01  0.634070D+01 -0.897502D+01
      5   0.672552D+01  0.315510D+01  0.763144D+01 -0.218628D+01  0.770449D+01
      6   0.127694D+01  0.133563D+02  0.853851D+01  0.499795D+01 -0.841931D+01
                26            27            28            29            30 
      1  -0.147943D+02 -0.128629D+00  0.150251D+02  0.394243D+01  0.220756D+01
      2   0.149851D+02 -0.417659D+01 -0.124406D+02 -0.452189D+01 -0.297023D+01
      3  -0.190756D+00  0.430522D+01 -0.258456D+01  0.579458D+00  0.762670D+00
      4  -0.105432D+01 -0.304189D+01 -0.204594D+00  0.660273D+01 -0.140297D+01
      5  -0.188275D+01 -0.586954D+01  0.438141D+01 -0.123638D+01  0.397643D+01
      6  -0.323940D+00 -0.467547D+00  0.873303D+01  0.312875D+01 -0.117162D+01
                31            32            33            34            35 
      1  -0.689437D+01 -0.155816D+02  0.529879D+01 -0.533437D+01  0.859140D+01
      2  -0.319610D+01  0.942521D+01 -0.119451D+02 -0.599561D-01 -0.665062D+01
      3   0.100905D+02  0.615641D+01  0.664636D+01  0.539432D+01 -0.194078D+01
      4  -0.962885D+01 -0.223190D+01  0.123152D+01  0.165406D+02  0.386615D+01
      5   0.128774D+02  0.143040D+01  0.695583D+01  0.143871D+02  0.242126D+01
      6  -0.578324D+01 -0.612239D+01  0.461872D+01  0.451448D+01  0.100586D+02
                36            37            38            39            40 
      1  -0.231784D+01  0.835991D+01  0.190394D+02 -0.155313D+01 -0.200565D+02
      2  -0.178451D+01  0.258135D+01 -0.191573D+02  0.506429D+01  0.172130D+02
      3   0.410234D+01 -0.109413D+02  0.117945D+00 -0.351116D+01  0.284347D+01
      4   0.168907D+01  0.655331D+01 -0.186048D+01  0.606633D+01  0.940752D+01
      5  -0.343103D+00 -0.680124D+01  0.852652D+01 -0.662714D+01  0.131955D+01
      6   0.329161D+01  0.474700D+01 -0.356801D+01 -0.116379D+00 -0.926311D+01
                41            42            43            44            45 
      1   0.663630D+01 -0.108947D+02  0.576519D+01 -0.278906D+01 -0.804411D+01
      2   0.276650D+01  0.100390D+02 -0.954196D+01  0.744884D+01 -0.635666D+01
      3  -0.940281D+01  0.855766D+00  0.377677D+01 -0.465978D+01  0.144008D+02
      4   0.179808D+01 -0.520257D+01  0.471026D+01 -0.116611D+02  0.465086D+01
      5  -0.433228D+01 -0.406352D+01  0.923501D+01  0.432908D+01 -0.136918D+01
      6   0.123189D+02 -0.777787D+01  0.569755D+01  0.649156D+00 -0.561034D+00
                46            47            48            49            50 
      1  -0.168629D+01 -0.146801D+02  0.703780D+01  0.262794D+02 -0.516914D+01
      2  -0.712899D+01  0.702254D+01 -0.374068D+01 -0.208572D+02  0.295745D+01
      3   0.881528D+01  0.765755D+01 -0.329712D+01 -0.542224D+01  0.221169D+01
      4  -0.992339D+01 -0.975716D+01 -0.301204D+00  0.320574D-01 -0.696632D+01
      5  -0.406810D+01 -0.263453D+01  0.821077D+01  0.878016D+01  0.577618D+01
      6  -0.239469D+01 -0.748157D+01  0.500586D+01  0.109872D+02  0.118419D+02
                51            52            53            54            55 
      1  -0.174256D+01 -0.269586D+02 -0.209602D+02  0.307747D+00 -0.559108D+02
      2   0.392146D+01  0.165558D+02  0.230564D+02 -0.185552D+01  0.250825D+02
      3  -0.217890D+01  0.104028D+02 -0.209621D+01  0.154777D+01  0.308283D+02
      4   0.616514D+01 -0.804247D+01  0.271290D+01  0.823861D+00  0.115534D+02
      5   0.512278D+00  0.937235D+01 -0.123907D+01 -0.307333D+01  0.150246D+02
      6   0.586775D+01 -0.298823D+01  0.588419D+01  0.620460D+00  0.285033D+00
                56            57            58            59            60 
      1   0.101422D+02  0.116761D+02  0.266069D+02 -0.339132D+01 -0.994511D+01
      2  -0.520979D+01 -0.520752D+01 -0.214497D+02 -0.411478D+01 -0.620734D+01
      3  -0.493245D+01 -0.646856D+01 -0.515724D+01  0.750609D+01  0.161524D+02
      4  -0.165708D+02 -0.658301D+01 -0.266697D+02 -0.396239D+02 -0.172803D+02
      5  -0.707388D+01 -0.112660D+02 -0.101670D+02 -0.163470D+02  0.186584D+02
      6  -0.354971D+01 -0.165352D+01 -0.118181D+02 -0.142801D+02 -0.678254D+01
                61            62            63            64            65 
      1   0.406843D+02 -0.111640D+02  0.423589D+01 -0.428587D+02 -0.234980D+02
      2  -0.112006D+02 -0.259030D+01  0.147023D+02  0.258928D+02  0.998025D+01
      3  -0.294837D+02  0.137543D+02 -0.189382D+02  0.169660D+02  0.135177D+02
      4  -0.107317D+02 -0.747552D+01  0.148592D+02 -0.252717D+02  0.114625D+02
      5  -0.215716D+02  0.147963D+02 -0.336565D+02 -0.598817D+02  0.506121D+01
      6  -0.169561D+01 -0.386096D+01  0.514062D+01  0.899434D+00  0.389474D+00
                66            67            68            69            70 
      1  -0.545346D+02 -0.456771D+02  0.943679D+01  0.501007D+01 -0.920309D+02
      2   0.266828D+02  0.274886D+02 -0.971670D+01 -0.463423D+01  0.449328D+02
      3   0.278518D+02  0.181885D+02  0.279905D+00 -0.375839D+00  0.470980D+02
      4   0.601895D+01  0.942032D+01  0.380536D+02  0.541485D+01  0.141999D+02
      5  -0.577752D+01  0.877875D+01  0.394604D+01 -0.275264D+02 -0.842299D+01
      6   0.115805D+01  0.159306D+01 -0.311883D+00  0.503924D+00 -0.329661D+01
                71            72            73            74            75 
      1   0.942193D+01 -0.160557D+02  0.723613D+01  0.267738D+02  0.377937D+02
      2  -0.605347D+01  0.107144D+02 -0.117452D+02 -0.915950D+01 -0.167922D+02
      3  -0.336847D+01  0.534127D+01  0.450907D+01 -0.176144D+02 -0.210016D+02
      4   0.101501D+02 -0.295063D+02  0.259911D+02 -0.248488D+02 -0.225609D+02
      5  -0.299265D+02  0.103313D+02  0.381567D+02 -0.139152D+02 -0.521643D+01
      6   0.202852D+01  0.195736D+01 -0.185977D+02  0.454219D+01 -0.180393D+00
                76            77            78            79            80 
      1   0.285113D+02 -0.147481D+02 -0.122746D+02  0.484970D+02 -0.208640D+02
      2  -0.124795D+02  0.181097D+02  0.782553D+01 -0.206421D+02  0.116782D+02
      3  -0.160318D+02 -0.336165D+01  0.444908D+01 -0.278549D+02  0.918579D+01
      4  -0.177544D+02 -0.154048D+02 -0.430673D+01 -0.290606D+02 -0.583689D+01
      5  -0.102993D+02 -0.450511D+01  0.288599D+02 -0.107148D+02  0.376536D+02
      6   0.381725D+01  0.542087D+01 -0.148625D+02  0.538488D+01 -0.175117D+02
                81            82            83            84            85 
      1   0.594284D+01  0.330394D+01  0.169039D+02  0.499805D+02  0.271208D+02
      2  -0.111065D+02  0.141385D+02 -0.122991D+02 -0.255637D+02 -0.225155D+02
      3   0.516365D+01 -0.174424D+02 -0.460479D+01 -0.244168D+02 -0.460534D+01
      4   0.381693D+02  0.186970D+02 -0.106214D+02 -0.527917D+01 -0.150828D+02
      5  -0.216302D+02  0.458959D+02 -0.108041D+02 -0.219653D+02 -0.225080D+02
      6   0.119444D+02 -0.308801D+01  0.237147D+01  0.296437D+01  0.324018D+01
                86            87            88            89            90 
      1  -0.104100D+02 -0.129252D+02  0.570151D+02 -0.792335D+01 -0.792006D+01
      2  -0.951558D+01  0.132667D+02 -0.309366D+02  0.984168D+01  0.498209D+01
      3   0.199256D+02 -0.341491D+00 -0.260785D+02 -0.191832D+01  0.293798D+01
      4  -0.584589D+02 -0.187773D+01 -0.999218D+01 -0.114419D+02  0.245727D+02
      5   0.193709D+01  0.282613D+02 -0.193039D+02  0.256688D+02 -0.791406D+00
      6   0.100747D+02  0.305985D+01  0.497529D+01  0.342250D+01 -0.859449D+01
                91            92            93            94            95 
      1  -0.218617D+01  0.947893D+01  0.171049D+02  0.715708D+01  0.574934D+01
      2   0.374677D+00 -0.459733D+01 -0.519948D+01  0.768276D+00  0.240833D+01
      3   0.181149D+01 -0.488160D+01 -0.119055D+02 -0.792535D+01 -0.815768D+01
      4   0.916500D+01 -0.479510D+01 -0.982128D+00 -0.125698D+02  0.139714D+02
      5   0.153728D+02 -0.854498D+00 -0.798428D+01 -0.118851D+02 -0.270312D+02
      6  -0.118541D+00 -0.528902D+01 -0.766689D+00 -0.143566D+02  0.519424D+01
                96            97            98            99           100 
      1   0.256738D+01  0.368588D+02 -0.107585D+00 -0.123511D+02 -0.934433D+01
      2   0.451214D+01 -0.158887D+02 -0.284802D-01  0.703217D+01  0.181481D+01
      3  -0.707953D+01 -0.209701D+02  0.136066D+00  0.531897D+01  0.752952D+01
      4  -0.263054D+02 -0.110747D+02 -0.206204D+02  0.301801D-02 -0.158089D+02
      5  -0.933939D+01 -0.370488D+02  0.121981D-01 -0.250307D+01  0.397315D+01
      6  -0.170247D+02 -0.450102D+01 -0.127681D+02 -0.471877D+01  0.118178D+01
               101           102           103           104           105 
      1  -0.114149D+02 -0.581559D+01 -0.359788D+02 -0.161427D+02  0.141739D+02
      2   0.572463D+01  0.155002D+01  0.232521D+02  0.898987D+00 -0.137697D+02
      3   0.569027D+01  0.426556D+01  0.127266D+02  0.152438D+02 -0.404203D+00
      4  -0.177815D+02  0.380792D+01 -0.342703D+02 -0.190145D+02  0.198171D+02
      5   0.445319D+01  0.832510D+01  0.250020D+02  0.194016D+02 -0.202804D+02
      6   0.811235D+01 -0.109893D+01  0.985604D+01  0.320337D+01 -0.113592D+02
               106           107           108           109           110 
      1   0.982483D+01  0.733224D+01  0.170900D+02  0.499492D+02  0.261782D+02
      2   0.246215D+00 -0.409695D+01 -0.107482D+02 -0.230692D+02 -0.987776D+01
      3  -0.100710D+02 -0.323529D+01 -0.634185D+01 -0.268800D+02 -0.163005D+02
      4   0.837718D+01  0.323003D+02 -0.745526D+01  0.360166D+02  0.303876D+02
      5   0.176187D+02 -0.695021D+01 -0.509680D+01 -0.183933D+02 -0.696649D+01
      6  -0.112717D+00 -0.588522D+01  0.661607D+00 -0.681780D+01 -0.593641D+01
               111           112           113           114           115 
      1  -0.109429D+02  0.557566D+02  0.138590D+02 -0.819574D+01 -0.222979D+02
      2   0.624560D+01 -0.256516D+02  0.597625D+01  0.575191D+01  0.142022D+02
      3   0.469733D+01 -0.301050D+02 -0.198352D+02  0.244383D+01  0.809569D+01
      4  -0.469925D+01  0.435064D+02  0.691161D+02 -0.149418D+02 -0.116935D+02
      5   0.126076D+02 -0.241490D+02 -0.152279D+02  0.287729D+02  0.223864D+02
      6   0.389194D+01 -0.659459D+01 -0.170305D+02  0.146287D+02  0.364132D+01
               116           117           118           119           120 
      1  -0.186706D+01  0.226202D+01  0.342244D+00 -0.111470D+02  0.149974D+02
      2   0.123354D+01 -0.724885D+01  0.892745D+01  0.138972D+01 -0.135346D+02
      3   0.633526D+00  0.498683D+01 -0.926969D+01  0.975727D+01 -0.146279D+01
      4  -0.236117D+02  0.199087D+02 -0.856577D+01  0.945607D+01 -0.859213D+01
      5   0.192357D+02 -0.221692D+02  0.230134D+02 -0.544278D+01 -0.230877D+02
      6   0.142822D+02 -0.988469D+01 -0.270401D+01  0.358240D+00  0.363993D+01
               121           122           123           124           125 
      1  -0.261115D+02  0.286593D+01 -0.598395D+01  0.247951D+02 -0.131215D+02
      2   0.757372D+01  0.137478D+02  0.368635D+01 -0.204140D+02  0.684596D+01
      3   0.185378D+02 -0.166137D+02  0.229760D+01 -0.438106D+01  0.627551D+01
      4   0.314975D+02 -0.460670D+02 -0.129791D+02 -0.105609D+02 -0.913702D+00
      5   0.603155D+01 -0.101338D+02 -0.943009D+01 -0.299495D+02  0.105295D+00
      6  -0.661432D+01  0.126092D+02  0.125433D+02  0.446948D+01  0.728887D+01
               126           127           128           129           130 
      1  -0.298458D+02 -0.600375D-01  0.111526D+01 -0.283128D+01  0.340818D+01
      2   0.204992D+02 -0.902979D+00  0.274445D+00 -0.138204D+01 -0.253710D+01
      3   0.934662D+01  0.963017D+00 -0.138970D+01  0.421333D+01 -0.871084D+00
      4   0.110538D+01 -0.681577D+01  0.680301D+01 -0.467751D+01  0.770243D+01
      5   0.323872D+02  0.446935D+01 -0.437115D+01  0.540503D+01 -0.416676D+01
      6   0.442706D+00 -0.491394D+01  0.483172D+01 -0.431359D+01  0.624711D+01
               131           132           133           134           135 
      1  -0.158702D+02  0.129224D+02 -0.705622D+00  0.910074D+01 -0.109957D+02
      2   0.115239D+02 -0.398738D+01 -0.875877D+00 -0.448465D+01  0.120243D+01
      3   0.434637D+01 -0.893500D+01  0.158150D+01 -0.461609D+01  0.979330D+01
      4  -0.112409D+02  0.664379D+01 -0.695935D+01  0.873926D+01 -0.694221D+01
      5   0.487460D+01 -0.452836D+01  0.527221D+01 -0.491337D+01  0.719181D+01
      6  -0.170042D+02  0.141870D+02 -0.558767D+01  0.123789D+02 -0.125778D+02
               136           137           138           139           140 
      1   0.349306D+01 -0.212051D+01  0.234883D+00 -0.356438D+01 -0.123288D+02
      2   0.141877D+01  0.521590D+01 -0.521205D+00  0.630928D+01  0.172186D+02
      3  -0.491184D+01 -0.309539D+01  0.286323D+00 -0.274491D+01 -0.488982D+01
      4   0.865675D+01  0.815728D+01 -0.193529D+01  0.100065D+02  0.131652D+02
      5  -0.547432D+01 -0.337267D+01  0.336842D+01 -0.587432D+01 -0.716245D+01
      6  -0.202378D+01 -0.223294D+01  0.236132D+01 -0.482088D+01 -0.903521D+01
               141           142           143           144           145 
      1   0.459608D+01  0.132324D+01  0.573014D+01 -0.336254D+01 -0.325009D+01
      2  -0.356175D+01 -0.197472D+01 -0.595380D+01  0.198600D+01  0.363933D+01
      3  -0.103433D+01  0.651484D+00  0.223659D+00  0.137654D+01 -0.389244D+00
      4  -0.358767D+01 -0.282994D+01 -0.304546D+01  0.268881D+01 -0.815547D+01
      5   0.525165D+01  0.324671D+01  0.313356D+01 -0.277225D+01  0.475705D+01
      6   0.622174D+01  0.276534D+01  0.529291D+01 -0.379525D+01 -0.647180D+01
               146           147           148           149           150 
      1   0.450727D+01 -0.419732D+01  0.653171D+01 -0.235279D+02  0.147931D+02
      2  -0.484336D+01  0.213228D+01 -0.732681D+01  0.263236D+02 -0.114793D+02
      3   0.336098D+00  0.206504D+01  0.795102D+00 -0.279564D+01 -0.331384D+01
      4   0.932075D+01 -0.609117D+01  0.869060D+01 -0.130241D+02  0.687988D+01
      5  -0.417093D+01  0.485115D+01 -0.384470D+01  0.356556D+01 -0.354007D+01
      6   0.661884D+01 -0.597256D+01  0.720456D+01 -0.203370D+02  0.157076D+02
               151           152           153           154           155 
      1  -0.502113D+01  0.147198D+02 -0.120050D+02  0.181200D+01 -0.353572D+01
      2   0.499303D+01 -0.139696D+02  0.735859D+01  0.739191D+01  0.125750D+02
      3   0.280910D-01 -0.750208D+00  0.464636D+01 -0.920391D+01 -0.903923D+01
      4  -0.669169D+01  0.962098D+01 -0.688207D+01  0.153822D+02  0.159460D+02
      5   0.392523D+01 -0.372189D+01  0.468282D+01 -0.531431D+01 -0.384707D+01
      6  -0.600369D+01  0.143365D+02 -0.129629D+02 -0.162570D+01 -0.109675D+01
               156           157           158           159           160 
      1  -0.872648D+00 -0.194709D+01 -0.169631D+02  0.349904D+01  0.451242D+01
      2  -0.939220D+00  0.120964D+02  0.323396D+02 -0.552807D+01 -0.470496D+01
      3   0.181187D+01 -0.101493D+02 -0.153765D+02  0.202904D+01  0.192534D+00
      4  -0.298824D+01  0.172880D+02  0.244554D+02 -0.550466D+01 -0.323406D+01
      5   0.330163D+01 -0.673979D+01 -0.753964D+01  0.511191D+01  0.195537D+01
      6   0.255109D+01 -0.425479D+01 -0.782108D+01  0.619200D+01  0.286599D+01
               161           162           163           164           165 
      1   0.724076D+01 -0.299973D+01  0.142313D+02  0.755588D+01  0.377573D+00
      2  -0.104601D+02  0.348992D+01 -0.340080D+01 -0.221714D+01 -0.727289D+00
      3   0.321933D+01 -0.490186D+00 -0.108305D+02 -0.533874D+01  0.349716D+00
      4  -0.512416D+01  0.384533D+01  0.159262D+02  0.178522D+02  0.689379D+01
      5   0.398167D+01 -0.234823D+01  0.500573D+01  0.790165D+01  0.848412D+01
      6   0.532479D+01 -0.338110D+01  0.576145D+01  0.482464D+01  0.283173D+01
               166           167           168           169           170 
      1   0.134989D+02 -0.712480D+01 -0.270328D+01 -0.773387D+01 -0.122093D+01
      2  -0.173222D+01  0.176334D+02  0.304267D+01  0.270618D+01  0.354663D+00
      3  -0.117667D+02 -0.105086D+02 -0.339384D+00  0.502769D+01  0.866265D+00
      4   0.262761D+02  0.507642D+02  0.187000D+02  0.551646D+01  0.732048D+01
      5   0.134149D+02  0.181253D+02  0.126165D+02  0.747974D+01  0.773320D+01
      6   0.102324D+02  0.227826D+02  0.131541D+02  0.344426D+01  0.885697D+01
               171           172           173           174           175 
      1  -0.230888D+01  0.622070D+01 -0.380274D+01  0.585229D+01 -0.134415D+02
      2  -0.654969D+00 -0.797645D+01  0.243805D+01 -0.524749D+01  0.107448D+02
      3   0.296385D+01  0.175575D+01  0.136469D+01 -0.604802D+00  0.269669D+01
      4   0.828064D+01 -0.518238D+01  0.482119D+01 -0.521809D+00  0.666763D+01
      5   0.991537D+01  0.976438D+01 -0.153657D+01  0.141354D+02 -0.786901D+01
      6   0.580367D+01 -0.210401D+01  0.101487D+01  0.654634D-02  0.287891D+01
               176           177           178           179           180 
      1  -0.144119D+01  0.562060D+01  0.477013D+01  0.248009D+01 -0.172810D+02
      2  -0.186915D+01  0.665388D+01 -0.116979D+02  0.349566D+01 -0.237125D+02
      3   0.331034D+01 -0.122745D+02  0.692773D+01 -0.597575D+01  0.409935D+02
      4  -0.350548D+01  0.947303D+01 -0.153009D+01  0.729185D+01 -0.801357D+01
      5   0.974313D+01 -0.191433D+02  0.230744D+02 -0.793697D+01  0.538968D+02
      6  -0.316915D+01  0.703226D+01 -0.106261D+01  0.597380D+01 -0.237838D+01
               181           182           183           184           185 
      1   0.120833D+03  0.119527D+02  0.380882D+02  0.174687D+02  0.135458D+02
      2  -0.645997D+02 -0.737431D+01 -0.211974D+02 -0.898357D+01 -0.543186D+01
      3  -0.562328D+02 -0.457837D+01 -0.168908D+02 -0.848510D+01 -0.811396D+01
      4   0.105589D+02  0.139621D+02  0.171193D+01  0.195545D+02  0.825543D+00
      5   0.439789D+02  0.249112D+01  0.273508D+02  0.259192D+01  0.672123D+01
      6   0.126701D+01  0.115688D+01  0.894352D+00  0.313649D+01  0.119547D+01
               186           187           188           189           190 
      1   0.256358D+01  0.477928D+02  0.158572D+01  0.258988D+02  0.176198D+00
      2  -0.119294D+01 -0.282194D+02 -0.140282D+01 -0.183600D+02  0.124892D+01
      3  -0.137064D+01 -0.195733D+02 -0.182901D+00 -0.753876D+01 -0.142512D+01
      4   0.662794D+01  0.362722D+00  0.552928D+01  0.601537D+01 -0.876352D+01
      5   0.668008D+01  0.338494D+02  0.671705D+01  0.240590D+02  0.423193D+01
      6   0.300248D+01  0.832456D+00  0.219536D+01  0.818795D+00 -0.218587D+01
               191           192           193           194           195 
      1  -0.926967D+01  0.442132D+01 -0.620329D+01 -0.815049D+01  0.774484D+01
      2   0.446379D+01 -0.283215D+01  0.127550D+01  0.145850D+02 -0.102838D+02
      3   0.480588D+01 -0.158918D+01  0.492779D+01 -0.643453D+01  0.253894D+01
      4   0.703341D+01 -0.229972D+01  0.969488D+01 -0.232188D+02  0.170332D+02
      5  -0.143323D+01  0.530998D+01 -0.278680D+01  0.173106D+02 -0.185216D+02
      6  -0.236586D+00 -0.367707D+00  0.141625D+01 -0.134169D+02  0.151394D+02
               196           197           198           199           200 
      1   0.711427D+01  0.958536D+01 -0.114636D+02 -0.387040D+02 -0.116190D+02
      2  -0.246299D+01 -0.132249D+02  0.593748D+01  0.208325D+02  0.116345D+02
      3  -0.465128D+01  0.363956D+01  0.552614D+01  0.178715D+02 -0.155326D-01
      4  -0.846433D+01  0.288912D+02 -0.261938D+02  0.111203D+02 -0.792431D+01
      5   0.813686D+01 -0.261952D+02  0.418699D+02 -0.751449D+01 -0.143249D+01
      6  -0.348906D+01  0.180506D+02 -0.251579D+02  0.755507D+01  0.340476D+01
               201           202           203           204           205 
      1  -0.153598D+02 -0.829809D+01 -0.920792D+01 -0.276206D+01 -0.179353D+02
      2   0.777081D+01  0.680591D+01  0.828431D+01  0.329611D+01  0.840405D+01
      3   0.758898D+01  0.149218D+01  0.923616D+00 -0.534055D+00  0.953130D+01
      4   0.319473D+01  0.110310D+01 -0.244743D+01 -0.558967D+00  0.567611D+01
      5  -0.668750D+01 -0.229670D+00 -0.176756D+01 -0.413114D+01 -0.260242D+01
      6   0.670860D+01  0.229580D+01  0.234123D+01  0.503538D+01  0.405218D+01
               206           207           208           209           210 
      1  -0.509512D+01 -0.131045D+02  0.538155D+02 -0.245381D+02 -0.202378D+02
      2   0.506743D+01  0.662423D+01 -0.189958D+02  0.260652D+01  0.883041D+01
      3   0.276969D-01  0.648025D+01 -0.348197D+02  0.219316D+02  0.114074D+02
      4  -0.529664D+01 -0.419516D+01 -0.478329D+02  0.383076D+02  0.177558D+02
      5  -0.729981D+01 -0.553081D+01 -0.270720D+02  0.133924D+02  0.195602D+02
      6   0.667494D+01  0.498277D+01  0.115375D+02 -0.691899D+01 -0.837565D+01
               211           212           213           214           215 
      1  -0.174602D+02  0.142303D+02  0.553392D+01 -0.262164D+02  0.108054D+02
      2   0.159183D+00  0.270014D+01  0.752717D+00  0.104041D+02  0.129185D+00
      3   0.173010D+02 -0.169304D+02 -0.628664D+01  0.158123D+02 -0.109346D+02
      4   0.322874D+02 -0.297500D+02 -0.129041D+02  0.269063D+02 -0.234938D+02
      5   0.111967D+02 -0.114758D+02 -0.109262D+02  0.245355D+02 -0.185288D+02
      6  -0.680360D+01  0.731726D+01  0.802696D+01 -0.106921D+02  0.109348D+02
               216           217           218           219           220 
      1   0.126416D+02 -0.415836D+02 -0.303262D+01 -0.204230D+02 -0.484205D+01
      2  -0.514703D+01  0.147149D+02  0.124481D+01  0.191925D+01  0.285055D+01
      3  -0.749452D+01  0.268687D+02  0.178780D+01  0.185037D+02  0.199151D+01
      4  -0.213172D+02 -0.741180D+01 -0.507127D+01  0.546801D+00 -0.489569D-01
      5  -0.198344D+02  0.220299D+01  0.274988D+01 -0.100695D+02  0.156020D+01
      6   0.926825D+01  0.754118D+00  0.318804D+01 -0.160400D+01  0.165247D+01
               221           222           223           224           225 
      1  -0.505899D+01 -0.139920D+01 -0.209784D+02  0.348114D+00 -0.175860D+02
      2   0.383117D+01 -0.138766D+01  0.567573D+01 -0.140400D+01 -0.172533D+01
      3   0.122782D+01  0.278686D+01  0.153027D+02  0.105589D+01  0.193113D+02
      4   0.448228D+01 -0.252233D+01 -0.149636D+01 -0.274322D+01 -0.234533D+01
      5  -0.187236D+01 -0.524916D+01  0.948248D+00 -0.853909D+00 -0.129220D+02
      6  -0.684906D+00  0.309383D+01 -0.975598D+00  0.251580D+01 -0.114779D+01
               226           227           228           229           230 
      1   0.917568D+01  0.109245D+02 -0.596005D+01  0.144333D+02  0.230581D+01
      2  -0.303804D+01 -0.231313D+01  0.355917D+01 -0.224320D+01  0.211439D+02
      3  -0.613764D+01 -0.861136D+01  0.240088D+01 -0.121901D+02 -0.234497D+02
      4   0.138436D+02  0.174966D+02 -0.104689D+01  0.253176D+02  0.758413D+02
      5  -0.727193D+01 -0.222873D+01  0.579124D+01 -0.680735D+01 -0.101400D+02
      6  -0.200416D+01 -0.259169D+01  0.888102D+00 -0.541003D+01 -0.184359D+02
               231           232           233           234           235 
      1   0.555614D+00 -0.103824D+01  0.273315D+01 -0.235784D+00  0.656714D+02
      2   0.123474D+01  0.160765D+01  0.790877D+00  0.109632D+01 -0.444907D+02
      3  -0.179035D+01 -0.569410D+00 -0.352403D+01 -0.860538D+00 -0.211807D+02
      4  -0.826758D+01  0.154233D+01  0.458676D+01  0.578336D+01 -0.682954D+01
      5   0.111305D+02  0.453929D+01  0.560232D+01  0.375901D+00 -0.548633D+02
      6   0.722027D+01  0.969617D+00  0.561199D+01 -0.865893D+00  0.219448D+01
               236           237           238           239           240 
      1  -0.920389D+01 -0.350705D+02 -0.218440D+02  0.105948D+02  0.106095D+02
      2   0.665070D+01  0.276113D+02  0.153310D+02 -0.533051D+01 -0.105056D+02
      3   0.255319D+01  0.745922D+01  0.651303D+01 -0.526431D+01 -0.103890D+00
      4   0.134707D+02  0.291115D+01  0.146893D+02 -0.512664D+01 -0.811954D+01
      5   0.660255D+01  0.411600D+02  0.198884D+02 -0.102367D+02 -0.204709D+02
      6  -0.489873D+01 -0.831788D+00 -0.558623D+01  0.299739D+01  0.431335D+01
               241           242           243           244           245 
      1  -0.331486D+02  0.366027D+01  0.225480D+02  0.167377D+01 -0.711903D+01
      2   0.278977D+02 -0.455357D+01 -0.258103D+02 -0.337346D+00  0.358020D+01
      3   0.525088D+01  0.893301D+00  0.326234D+01 -0.133643D+01  0.353883D+01
      4   0.366323D+01 -0.585904D+01 -0.609107D+01 -0.112478D+02  0.906688D+01
      5   0.437490D+02 -0.839042D+01 -0.429473D+02  0.591443D+01 -0.480469D+01
      6  -0.165235D+01  0.373805D+01  0.180012D+01 -0.637130D+01  0.307041D+01
               246           247           248           249           250 
      1   0.983610D+00 -0.921415D+01 -0.477703D+01  0.459602D+01 -0.221884D+00
      2  -0.122311D+01  0.355981D+01  0.689160D+01 -0.113606D+01 -0.181243D+01
      3   0.239503D+00  0.565433D+01 -0.211457D+01 -0.345995D+01  0.203431D+01
      4  -0.441367D+01  0.129374D+02 -0.286736D+02  0.134111D+02 -0.545655D+01
      5   0.783955D+01 -0.664707D+01  0.136852D+02 -0.132583D+02  0.114580D+02
      6  -0.190615D+01  0.527445D+01 -0.161695D+02  0.102020D+02 -0.361446D+01
               251           252           253           254           255 
      1   0.228190D+01 -0.304182D+01 -0.307814D+02 -0.120717D+02 -0.459982D+02
      2   0.108562D+01 -0.350342D+01  0.356624D+02  0.112085D+02  0.144971D+02
      3  -0.336752D+01  0.654524D+01 -0.488108D+01  0.863163D+00  0.315010D+02
      4   0.132483D+02 -0.101646D+02 -0.193225D+02  0.212394D+01 -0.132325D+02
      5  -0.973601D+01  0.153653D+02 -0.581922D+02 -0.910439D+01 -0.154943D+02
      6   0.105312D+02 -0.825711D+01 -0.124670D+02  0.812291D+00 -0.446340D+00
               256           257           258           259           260 
      1  -0.257950D+01  0.312815D+01 -0.144733D+02 -0.382141D+02 -0.124041D+02
      2   0.346131D+01 -0.201846D+02  0.925711D+01  0.106967D+02  0.146190D+02
      3  -0.881811D+00  0.170565D+02  0.521619D+01  0.275174D+02 -0.221490D+01
      4   0.120360D+02 -0.711222D+01  0.187395D+02 -0.521738D+01  0.175156D+02
      5   0.286810D+01  0.228642D+02  0.110606D+02 -0.246483D+01  0.340217D+01
      6   0.104948D+02  0.391191D+01  0.174377D+02  0.602543D+01  0.131010D+02
               261           262           263           264           265 
      1   0.112119D+02  0.388985D+02 -0.102241D+02 -0.252461D+02  0.447102D+01
      2   0.473717D+01 -0.254306D+02  0.573281D+01  0.181421D+02 -0.563457D+01
      3  -0.159491D+02 -0.134679D+02  0.449133D+01  0.710407D+01  0.116355D+01
      4   0.874794D+01 -0.187094D+02  0.120744D+02  0.120701D+02  0.595101D+01
      5   0.229919D+01 -0.364410D+02  0.105592D+02  0.312935D+02 -0.509191D+01
      6   0.348390D+01  0.658290D+01 -0.330763D+01 -0.565055D+01 -0.201090D+01
               266           267           268           269           270 
      1   0.199091D+01 -0.440182D+01 -0.308734D+02  0.794766D+01  0.234421D+02
      2  -0.493869D+00  0.529796D+01  0.249836D+02 -0.562394D+01 -0.253452D+02
      3  -0.149704D+01 -0.896138D+00  0.588979D+01 -0.232372D+01  0.190315D+01
      4  -0.684336D+01 -0.451382D+01  0.178975D+02 -0.148031D+02 -0.178544D+02
      5  -0.468040D+01  0.459667D+01  0.456087D+02 -0.156148D+02 -0.520252D+02
      6   0.243824D+01  0.298410D+01 -0.810155D+01  0.619050D+01  0.106913D+02
               271           272           273           274           275 
      1   0.814587D+00  0.754734D+01  0.377399D+01  0.752255D+01 -0.172224D+02
      2   0.132180D+01 -0.671960D+01  0.302187D-01 -0.446807D+01  0.349210D+02
      3  -0.213639D+01 -0.827736D+00 -0.380421D+01 -0.305448D+01 -0.176986D+02
      4   0.414261D+01  0.775188D+00  0.801057D+00  0.577798D+01  0.287581D+02
      5   0.244736D+01  0.285832D+01  0.100305D+01  0.488847D+01 -0.538686D+01
      6   0.183696D+01 -0.199759D+01 -0.129646D+01  0.582782D+00  0.141002D+02
               276           277           278           279           280 
      1  -0.239073D+00 -0.128902D+01  0.462061D+01 -0.262225D+01  0.672655D+02
      2  -0.653568D+01  0.210747D+01 -0.105574D+02  0.483500D+01 -0.478908D+02
      3   0.677475D+01 -0.818457D+00  0.593676D+01 -0.221276D+01 -0.193747D+02
      4  -0.216177D+01 -0.192437D+01 -0.103973D+02  0.116711D+01  0.279498D+02
      5   0.780133D+01 -0.156911D+01  0.257044D+01 -0.729637D+01  0.653846D+02
      6   0.365267D+01 -0.147714D+01 -0.184365D+01 -0.261512D+01  0.129225D+02
               281           282           283           284           285 
      1   0.730243D+01  0.233504D+02  0.959942D+00  0.535720D+01  0.160302D+01
      2  -0.416821D+01 -0.231932D+02  0.150593D+01 -0.912644D+00  0.801396D-01
      3  -0.313422D+01 -0.157248D+00 -0.246588D+01 -0.444455D+01 -0.168316D+01
      4   0.151572D+02  0.139935D+02  0.121837D+02  0.635129D+01  0.466976D+01
      5   0.126570D+02  0.397453D+02  0.263308D+01  0.602792D+01  0.749068D+00
      6   0.889785D+01  0.968489D+01  0.650487D+01  0.300255D+01  0.360884D+01
               286           287           288           289           290 
      1   0.168984D+02  0.213323D+01  0.817853D+01 -0.144002D+02  0.524209D+01
      2  -0.185111D+02 -0.304666D+01 -0.162750D+02 -0.196362D+01 -0.281678D+01
      3   0.161267D+01  0.913424D+00  0.809652D+01  0.163639D+02 -0.242531D+01
      4   0.970696D+01  0.442688D+01  0.659421D+01 -0.286014D+01 -0.252754D+01
      5   0.332142D+02  0.628473D+01  0.275373D+02  0.110373D+01 -0.108819D+01
      6   0.681103D+01  0.399848D+01  0.696460D+01  0.367389D+01 -0.552343D+01
               291           292           293           294           295 
      1   0.267825D+02 -0.128485D+01 -0.593000D+01  0.245510D+01  0.180824D+02
      2   0.207797D+01 -0.453294D-01  0.252207D+01  0.246184D+01 -0.133240D+01
      3  -0.288604D+02  0.133018D+01  0.340794D+01 -0.491693D+01 -0.167500D+02
      4   0.285148D+01 -0.100217D+01 -0.503876D+00  0.362744D+00  0.452402D+01
      5  -0.265147D+01 -0.809785D+00 -0.179789D+01 -0.428301D+01  0.445332D+01
      6  -0.731459D+01 -0.337811D+01  0.666637D+00  0.465183D+01 -0.285968D+01
               296           297 
      1  -0.365406D+01 -0.350604D+02
      2   0.787171D-01 -0.121388D+02
      3   0.357534D+01  0.471992D+02
      4   0.162576D+01 -0.232597D+01
      5   0.216324D+01  0.165672D+02
      6   0.643190D+01  0.115580D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.688865D+00      0.175092D+01      0.584044D+01
   x         -0.450098D+00     -0.114403D+01     -0.381609D+01
   y         -0.500508D+00     -0.127216D+01     -0.424348D+01
   z          0.146421D+00      0.372165D+00      0.124141D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.158480D+03      0.234843D+02      0.261298D+02
   aniso      0.671844D+02      0.995570D+01      0.110772D+02
   xx         0.200171D+03      0.296622D+02      0.330037D+02
   yx         0.559380D+01      0.828915D+00      0.922293D+00
   yy         0.144713D+03      0.214442D+02      0.238599D+02
   zx         0.708171D+01      0.104940D+01      0.116762D+01
   zy        -0.833210D+01     -0.123469D+01     -0.137378D+01
   zz         0.130555D+03      0.193463D+02      0.215257D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.169047D+03      0.250502D+02      0.278721D+02
   aniso      0.748247D+02      0.110879D+02      0.123369D+02
   xx         0.215738D+03      0.319691D+02      0.355704D+02
   yx         0.632354D+01      0.937052D+00      0.104261D+01
   yy         0.153118D+03      0.226897D+02      0.252457D+02
   zx         0.782381D+01      0.115937D+01      0.128997D+01
   zy        -0.866225D+01     -0.128361D+01     -0.142821D+01
   zz         0.138286D+03      0.204919D+02      0.228003D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -2.56020495         -0.08751731         -0.43312935
     6         -2.33456434         -0.21033613          2.19206974
     6         -0.46529858         -0.30452154         -1.99364444
     6          1.93626738         -0.66447071         -0.97198986
     6          2.17193891         -0.82340903          1.64158988
     6          0.06988398         -0.59650242          3.19661397
     6         -4.60442520          0.09901188          3.88033753
     6         -5.18909199          2.85112759          4.67842099
     6         -5.84057765          4.53180352          2.42251151
     6         -3.06139518          4.01200298          6.24793572
     6          4.24908743         -0.85373927         -2.66465964
     6          3.88190916         -3.02729133         -4.49662185
     8          3.03565785         -2.86308256         -6.60185448
     8          4.57357438         -5.26144119         -3.46633066
     1         -4.40985207          0.17209048         -1.26993407
     1         -0.70079862         -0.22179664         -4.02439720
     1          4.01722326         -1.13624541          2.47120205
     1          0.30215328         -0.73432517          5.22540443
     1         -4.33460030         -1.02514809          5.59200429
     1         -6.26930349         -0.66251348          2.92399482
     1         -6.86880239          2.73619165          5.88316847
     1         -7.39671904          3.74432295          1.31846573
     1         -4.22007614          4.75091680          1.16494084
     1         -6.40288546          6.41294903          3.05627939
     1         -1.33795859          4.21260091          5.13205527
     1         -2.61761014          2.85009163          7.89538121
     1         -3.59546318          5.88746097          6.92170756
     1          5.85959699         -1.33286771         -1.47095916
     6          4.77744333          1.61103491         -4.08015094
     1          4.19204233         -6.56161297         -4.70148150
     1          3.21839007          2.07611468         -5.33919721
     1          6.48918729          1.45617621         -5.21831910
     1          5.01580310          3.14861423         -2.73052678

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.688865D+00      0.175092D+01      0.584044D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.688865D+00      0.175092D+01      0.584044D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.158480D+03      0.234843D+02      0.261298D+02
   aniso      0.671844D+02      0.995570D+01      0.110772D+02
   xx         0.169371D+03      0.250982D+02      0.279255D+02
   yx        -0.170667D+02     -0.252902D+01     -0.281391D+01
   yy         0.132401D+03      0.196199D+02      0.218300D+02
   zx        -0.240454D+02     -0.356316D+01     -0.396455D+01
   zy         0.109752D+02      0.162636D+01      0.180957D+01
   zz         0.173667D+03      0.257348D+02      0.286338D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.169047D+03      0.250502D+02      0.278721D+02
   aniso      0.748247D+02      0.110879D+02      0.123369D+02
   xx         0.180921D+03      0.268098D+02      0.298299D+02
   yx        -0.186933D+02     -0.277006D+01     -0.308211D+01
   yy         0.140532D+03      0.208247D+02      0.231707D+02
   zx        -0.273584D+02     -0.405410D+01     -0.451079D+01
   zy         0.123622D+02      0.183189D+01      0.203825D+01
   zz         0.185688D+03      0.275161D+02      0.306158D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-18\Freq\RB3LYP\Gen\C13H18O2\PIERPA\08-Sep-2021\0\\#P 
 B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoSymm
 ,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq\\ROA calculat
 ions.\\0,1\C,-0.70991,0.670807,-0.967581\C,-1.514787,-0.421985,-0.6415
 07\C,0.592878,0.771936,-0.502207\C,1.137615,-0.225982,0.304676\C,0.347
 678,-1.327177,0.619024\C,-0.957714,-1.421755,0.154368\C,-2.940864,-0.5
 08394,-1.117499\C,-3.987455,0.128199,-0.171742\C,-3.779028,1.632708,-0
 .004548\C,-4.041131,-0.569211,1.186803\C,2.555065,-0.110902,0.841195\C
 ,3.512909,0.020089,-0.327512\O,3.916643,1.053908,-0.793769\O,3.856696,
 -1.186888,-0.831471\H,-1.108539,1.453325,-1.601421\H,1.197146,1.626236
 ,-0.780243\H,0.758326,-2.12193,1.230081\H,-1.550996,-2.291094,0.409882
 \H,-3.207271,-1.558295,-1.2639\H,-3.023252,-0.023303,-2.093508\H,-4.95
 6106,-0.021345,-0.6612\H,-3.767687,2.144305,-0.969553\H,-2.833997,1.84
 5956,0.498551\H,-4.580691,2.067606,0.595584\H,-3.105962,-0.437299,1.73
 4311\H,-4.217867,-1.641741,1.078812\H,-4.845765,-0.157244,1.799012\H,2
 .793783,-1.046687,1.348092\C,2.714984,1.060322,1.812332\H,4.422318,-1.
 021428,-1.602212\H,2.519413,2.006373,1.310475\H,3.727494,1.097018,2.21
 6623\H,2.011507,0.951447,2.637725\\Version=ES64L-G16RevA.03\State=1-A\
 HF=-657.0235965\RMSD=8.361e-09\RMSF=1.834e-06\ZeroPoint=0.284504\Therm
 al=0.3000427\Dipole=-0.4500978,-0.5005081,0.1464208\DipoleDeriv=-0.110
 9825,-0.0220751,0.040635,-0.0691576,0.024031,-0.1025873,0.0349117,-0.0
 821564,-0.0418685,0.2885721,-0.0082941,0.0594857,-0.000623,-0.0807984,
 -0.0191721,0.1063002,-0.0235555,-0.0865254,-0.1062411,0.0361355,-0.012
 718,0.0683472,-0.014436,-0.0403733,-0.016995,-0.0454441,-0.0794398,0.2
 628063,0.0779865,0.0766199,0.0402698,-0.0667701,-0.0081457,0.1942299,0
 .0193202,-0.1013775,-0.0913751,-0.0404132,0.0368086,0.0034674,0.038827
 4,-0.0839679,0.0409406,-0.0902973,-0.0441151,-0.1171768,0.072773,-0.01
 20003,0.0977103,0.0276897,-0.0380921,-0.0641793,-0.0611608,-0.0877894,
 0.030446,0.0111207,0.0030761,0.0925576,0.1105083,0.013097,0.1532617,-0
 .0005062,0.1344182,0.1812788,-0.0043232,-0.0067362,-0.0834013,0.157352
 7,-0.0235973,-0.1506445,-0.0106189,0.1192995,0.0547298,-0.0063673,0.00
 37804,-0.0095241,-0.0310124,-0.0220271,0.0544567,-0.0259593,0.074185,0
 .0612781,0.003402,0.0124365,0.0472176,0.0579485,0.0401388,0.0369462,0.
 0380818,-0.0197407,-0.1073383,-0.0387126,0.1359696,-0.1456285,0.094018
 9,0.010305,0.0851649,0.0096829,0.0656278,0.9371726,-0.0281742,-0.48850
 16,-0.0424017,1.5705404,0.1654336,-0.8662449,0.1027153,0.707734,-0.673
 2376,-0.2273702,0.1937912,-0.1730455,-0.9387209,0.0026789,0.3772205,0.
 2189481,-0.5434262,-0.5651051,0.3005229,0.1364243,0.3274601,-0.9897777
 ,-0.2830098,0.2649911,-0.3957914,-0.4770494,0.0368578,0.0401546,-0.068
 8767,0.0461989,-0.0007806,0.078246,-0.0756158,0.0803429,0.0397157,0.04
 64781,-0.0674052,0.0081958,-0.0776575,0.0148034,0.0323465,0.0125482,0.
 0365086,0.0974897,0.0283331,0.0562676,-0.0608408,0.0454977,0.0007694,0
 .0788398,-0.0634796,0.0839454,0.0440979,0.0044744,-0.1002894,0.0014508
 ,-0.1031107,-0.015279,0.0446888,-0.0053468,0.0405612,0.0864497,-0.0364
 221,-0.0061492,-0.018567,-0.0602649,-0.1480384,-0.0629117,-0.0177172,-
 0.0045327,0.0503639,-0.0299459,-0.0099013,0.0144333,0.0170565,0.020637
 8,0.1077662,-0.0418516,0.0545574,-0.1227078,-0.216894,-0.0251688,-0.08
 99441,-0.0007611,-0.0011065,-0.0095751,-0.0493752,-0.013861,-0.0345326
 ,0.0740254,-0.0257389,0.018303,-0.0190801,-0.0220345,0.063035,-0.00314
 04,0.1130217,-0.116607,-0.0622463,-0.0603846,-0.0794931,-0.0314226,0.0
 293972,0.0075804,-0.1104381,0.0007181,0.0093182,-0.0896096,0.0974693,0
 .0890917,0.0613285,0.0032193,-0.0419572,0.1103478,-0.0746208,-0.000530
 4,-0.061037,-0.0177701,-0.1041137,-0.0591609,0.0278396,0.0005595,-0.09
 48259,0.007538,0.009238,0.0750315,-0.012035,-0.0038834,-0.0391593,-0.1
 694536,0.017475,-0.0187131,-0.0295298,0.0281149,-0.0927685,0.0457631,0
 .1171473,0.0888015,0.0347188,-0.057175,0.1035653,-0.0240035,-0.028954,
 0.0327627,-0.0028488,-0.0010955,0.0467746,-0.0779568,0.0400858,-0.0096
 767,0.0253331,-0.003783,-0.002792,-0.0070321,-0.016021,0.0273735,0.028
 3496,0.018559,0.0189183,-0.0311555,0.076762,0.3250878,-0.0336919,0.036
 541,-0.0846439,0.2619976,0.0764976,0.0289794,0.0486173,0.2566731,0.072
 6125,0.0370941,-0.0266942,0.0303288,-0.0381011,0.0167467,-0.0245952,0.
 0814175,0.0167639,-0.1475137,-0.0283051,-0.1092025,-0.0302079,0.045482
 3,-0.035095,-0.09988,-0.0336543,0.0190615,-0.0012615,-0.0062394,0.1144
 975,-0.0111395,0.046134,0.0136069,0.0899369,-0.0144619,-0.0468662\Pola
 r=200.1707332,5.593797,144.7128396,7.0817139,-8.3321009,130.5554752\Qu
 adrupole=0.9371817,-1.9210555,0.9838739,-4.1588102,1.6837153,0.1066615
 \PG=C01 [X(C13H18O2)]\NImag=0\\0.62749729,0.05978573,0.56648817,0.1606
 3663,-0.23472876,0.34096552,-0.17952783,-0.11728618,0.02638082,0.59395
 146,-0.06454086,-0.22628655,0.07033469,0.06799932,0.55221682,-0.005248
 03,0.04829096,-0.09952376,0.11553429,-0.18936343,0.33545335,-0.3073216
 6,0.00148475,-0.09994619,-0.03521463,-0.06369017,0.02031487,0.64319251
 ,-0.05244501,-0.11407233,0.01094308,-0.02515268,0.02202585,-0.01817325
 ,0.12007848,0.57739020,-0.06873529,0.03244668,-0.10702080,-0.00126331,
 -0.03402599,0.02591425,0.13120747,-0.21647036,0.31830989,-0.01543736,0
 .02519626,-0.02347202,0.00191461,-0.00500757,0.00572535,-0.14453876,0.
 06583580,-0.06945307,0.57010686,0.06514495,0.03456826,0.01046021,-0.00
 492549,-0.05642006,0.02734450,0.01426735,-0.21091461,0.09112540,0.0802
 8244,0.55943046,-0.04728037,-0.00558443,-0.00857021,0.00674416,0.02724
 923,-0.01977620,-0.03903601,0.11052729,-0.14976209,0.11419486,-0.18953
 123,0.33159045,-0.05134138,-0.02730764,-0.00238654,-0.01411484,0.06448
 594,-0.04609296,0.05546279,-0.02231570,0.03024079,-0.17731075,-0.06761
 810,-0.00611546,0.62311975,-0.02780904,-0.01915293,-0.00437829,0.02620
 449,0.03401113,-0.00629968,0.01543813,-0.04487000,0.03828809,-0.123990
 16,-0.23664807,0.04803648,0.05974710,0.58206246,-0.00154947,-0.0038839
 8,-0.00559999,-0.02272336,0.00996022,-0.00788733,0.00819772,0.02365104
 ,0.00030567,0.02633651,0.07022018,-0.09486167,0.16146999,-0.23202434,0
 .32753116,0.05518753,0.01523764,0.01030012,-0.14885976,0.01749714,-0.0
 4150465,-0.03995435,0.02058187,-0.02523549,-0.03530303,-0.06526314,0.0
 2116041,-0.30321849,0.00306629,-0.09825440,0.63829890,-0.02052279,-0.0
 4468734,0.02334667,0.07097225,-0.21354208,0.11082416,0.01899382,-0.011
 89300,0.01061357,-0.02490188,0.01974776,-0.01771513,-0.05072854,-0.114
 40762,0.01100525,0.11453864,0.58698525,0.03114673,0.03868301,0.0008036
 3,-0.07217726,0.08881179,-0.14624438,-0.02481785,0.01135410,-0.0233018
 5,-0.00231028,-0.03454899,0.02585364,-0.06705956,0.03287966,-0.1052586
 1,0.13368192,-0.21187817,0.30746010,-0.02247304,-0.00832720,-0.0073775
 7,-0.18039119,-0.00933471,-0.03689277,0.00303277,-0.00237317,-0.000613
 51,-0.00135902,-0.00010504,-0.00024503,0.00381040,-0.00069854,-0.00168
 229,-0.01542965,0.00346429,-0.01179145,0.44722569,-0.02614799,0.002783
 03,-0.00783900,-0.01457749,-0.08842258,0.00299982,-0.00420893,-0.00175
 473,0.00452150,0.00024694,-0.00146312,0.00021583,0.00076238,-0.0018801
 6,0.00431350,0.02236456,0.00511127,0.00725789,0.04010409,0.57405049,0.
 00418732,-0.00118037,0.00595351,-0.04643908,0.00418832,-0.09422952,-0.
 00009351,0.00366160,0.00381780,0.00036618,0.00014057,-0.00119426,-0.00
 267492,0.00527411,0.00348011,-0.02150575,0.00029646,-0.00350764,0.0385
 4177,-0.05350988,0.51685202,0.00088534,0.00166297,-0.00069793,-0.03180
 403,0.01154246,0.01436198,-0.00022818,-0.00055095,-0.00113372,0.000320
 09,0.00013898,0.00025168,-0.00029528,-0.00061825,-0.00106774,0.0006373
 4,-0.00159063,0.00131856,-0.10722898,0.02206808,0.03376672,0.54031466,
 -0.00173942,-0.00146700,-0.00141567,0.00461916,0.00188370,0.00568793,0
 .00051690,-0.00065540,-0.00039221,-0.00025792,0.00029311,-0.00012236,-
 0.00003560,-0.00001564,0.00015305,-0.00027567,0.00042413,-0.00028038,0
 .01604861,-0.08792080,-0.01942049,0.02288481,0.46676674,-0.00135843,-0
 .00103790,-0.00085408,0.00162056,0.00718493,0.01301906,0.00025449,-0.0
 0039017,-0.00042694,-0.00046555,-0.00000493,0.00010693,0.00061666,-0.0
 0025361,-0.00100813,-0.00195432,-0.00013357,-0.00254345,0.02273682,-0.
 01814598,-0.10382621,0.05830817,0.00367085,0.48708211,-0.00078037,0.00
 033786,0.00071930,0.00130187,0.00128591,0.00025735,0.00012806,0.000005
 40,-0.00004731,-0.00014856,0.00003233,-0.00015828,-0.00001878,-0.00001
 409,-0.00003937,-0.00019712,0.00002562,-0.00031880,0.00322488,0.024398
 97,0.00367083,-0.08283643,-0.01676732,-0.00271356,0.56480513,0.0002554
 3,0.00013867,-0.00044185,0.00007422,0.00009143,-0.00008841,0.00010002,
 -0.00024915,0.00003332,-0.00008575,0.00017591,-0.00005559,-0.00010712,
 -0.00013513,0.00001073,-0.00009589,-0.00001042,-0.00003509,0.00327731,
 -0.01896788,-0.00624721,-0.01759553,-0.17534742,-0.01143685,-0.0141368
 9,0.46392371,0.00085988,-0.00069386,-0.00005907,-0.00068720,0.00008392
 ,-0.00018444,-0.00007974,-0.00001805,-0.00043724,-0.00010842,-0.000014
 25,0.00002886,0.00005681,-0.00004849,0.00014064,0.00006092,0.00032638,
 -0.00009495,-0.00101706,-0.02143993,-0.00388094,-0.00368748,-0.0123643
 7,-0.07932250,-0.00479353,-0.01371073,0.56942095,-0.00019783,-0.000263
 08,-0.00014485,0.00096394,-0.00066803,0.00131917,0.00000086,-0.0000248
 1,-0.00001133,-0.00015811,-0.00008321,-0.00009357,0.00008133,-0.000125
 71,-0.00000421,-0.00065348,0.00064421,0.00055476,-0.00180067,-0.010215
 25,0.02353766,-0.07988633,-0.00029000,-0.00047705,0.00011651,-0.003991
 40,0.00516429,0.56596724,0.00007877,-0.00018078,0.00023596,-0.00079246
 ,0.00013889,-0.00035282,0.00011301,0.00005876,0.00010487,0.00000991,0.
 00011846,-0.00004932,-0.00019907,-0.00034275,-0.00012730,0.00083219,0.
 00030699,-0.00049789,-0.00092713,0.00655212,-0.01069966,-0.00056522,-0
 .09831264,0.04054170,-0.00127978,-0.02385691,0.03325236,-0.00349529,0.
 55001823,-0.00010860,-0.00018331,0.00007725,-0.00023592,-0.00021523,0.
 00006661,-0.00002630,0.00014611,-0.00006704,-0.00015943,-0.00005960,0.
 00006114,0.00004629,-0.00008288,-0.00029657,0.00060547,-0.00023373,-0.
 00032879,0.00635535,0.00711369,-0.02438817,-0.00150241,0.04168164,-0.1
 5913807,0.00032340,0.00490330,0.00137789,0.00176805,0.04406237,0.48141
 332,0.00401293,0.00075084,-0.00245441,-0.00095897,-0.00053651,0.000602
 80,-0.01789073,0.00405462,-0.00975657,-0.16192364,-0.01076228,-0.02570
 725,-0.02557859,-0.00449264,-0.00861200,0.00185209,-0.00373858,-0.0011
 9860,-0.00012450,0.00020299,0.00024785,-0.00009152,0.00000911,-0.00001
 408,0.00001688,0.00000193,-0.00001054,0.00001676,-0.00001861,0.0000013
 5,0.43624404,0.00101379,-0.00276129,0.00506003,-0.00060979,-0.00136329
 ,-0.00015887,0.02156451,0.00714070,0.00624843,-0.00245627,-0.08108878,
 0.00892747,-0.02385520,0.00080864,-0.00850255,-0.00274023,-0.00122097,
 0.00389931,0.00028470,0.00003312,-0.00012379,0.00000523,-0.00007341,-0
 .00008847,0.00000628,-0.00003854,0.00003544,-0.00000394,0.00003566,0.0
 0001748,-0.02724162,0.57818186,-0.00132379,0.00440027,0.00250464,0.000
 00826,-0.00007688,-0.00092424,-0.01888693,-0.00095794,-0.00557558,-0.0
 4206949,0.00528581,-0.08463428,0.00379339,-0.00050841,0.00657666,-0.00
 044719,0.00456547,0.00466351,0.00045293,-0.00036962,-0.00055890,0.0000
 3429,0.00006147,0.00013718,0.00000946,-0.00000303,-0.00001539,0.000007
 06,-0.00000212,-0.00002377,0.00427400,-0.05664225,0.47671297,-0.000432
 66,-0.00106042,0.00013908,-0.00002324,0.00064405,-0.00017772,0.0014049
 7,0.00083846,0.00017641,-0.03813416,-0.00679854,0.01805962,-0.00130169
 ,0.00018727,-0.00051439,0.00059419,-0.00088199,-0.00023499,-0.00012018
 ,-0.00015847,-0.00030909,-0.00004049,0.00015650,0.00026202,-0.00002064
 ,-0.00001345,-0.00013376,-0.00003709,-0.00010249,-0.00007939,-0.111174
 37,0.00077462,0.04204316,0.41686591,0.00003045,-0.00112273,0.00100547,
 -0.00022406,-0.00030057,-0.00001444,0.00189060,0.00358477,-0.00090602,
 -0.00531745,-0.00293177,-0.00042827,-0.00083729,-0.00072656,-0.0007973
 4,-0.00077499,-0.00083844,-0.00055973,0.00000606,-0.00017272,0.0000471
 2,-0.00004738,0.00008929,0.00004988,0.00006251,0.00000750,-0.00001209,
 0.00002559,-0.00000867,0.00000537,0.00746397,-0.07502057,0.00088124,0.
 13259508,0.83121977,-0.00001450,0.00006708,-0.00135663,-0.00027625,-0.
 00004615,0.00003375,-0.00382772,-0.00085809,-0.00090836,0.00741159,-0.
 00155103,0.01999807,-0.00535295,0.00124792,-0.00275627,-0.00018866,-0.
 00143899,-0.00097698,-0.00007484,0.00036515,0.00055359,0.00003384,-0.0
 0023415,-0.00042004,0.00000862,-0.00001157,0.00015348,0.00003483,0.000
 11680,0.00007947,0.03196731,0.00819870,-0.14015788,-0.22586415,-0.1372
 4055,0.51982089,0.00002432,-0.00022562,0.00019218,-0.00003721,-0.00018
 603,-0.00005204,-0.00108553,0.00045043,0.00006983,0.00341194,0.0010801
 6,-0.00078258,-0.00035662,-0.00006166,-0.00008632,-0.00017704,0.000089
 29,-0.00020127,0.00004547,0.00004366,0.00017414,0.00004299,-0.00008952
 ,-0.00015394,0.00000275,0.00001193,0.00007990,0.00001337,0.00005733,0.
 00004949,0.00490182,-0.02937611,0.02053752,-0.16893417,-0.17697529,0.1
 0856808,0.13842678,-0.00018851,0.00051198,-0.00091409,0.00019667,0.000
 16293,0.00001967,-0.00023373,-0.00210096,0.00065353,0.00352103,-0.0001
 3864,0.00356983,-0.00134948,0.00070009,-0.00013023,0.00037108,0.000020
 59,-0.00013614,-0.00005342,0.00022036,0.00015210,0.00003311,-0.0001096
 1,-0.00013670,-0.00004270,-0.00000182,0.00004495,-0.00001026,0.0000338
 6,0.00001956,-0.01561131,-0.01126356,0.01274158,-0.18545866,-0.5421775
 5,0.21435128,0.21073956,0.66015435,0.00040661,-0.00003991,0.00071031,0
 .00001200,-0.00021776,0.00007253,0.00015366,0.00153822,0.00015933,-0.0
 0189111,0.00197847,-0.00602533,0.00243411,-0.00059424,0.00104004,-0.00
 020976,0.00040530,0.00040626,0.00004675,-0.00021235,-0.00025901,-0.000
 00650,0.00011164,0.00018850,-0.00000768,0.00000912,-0.00007760,-0.0000
 2687,-0.00005030,-0.00003705,0.02009835,0.02901320,-0.00422748,0.10824
 692,0.20272878,-0.20639444,-0.12550102,-0.23659456,0.18071889,0.000081
 65,-0.00005100,-0.00005865,0.00004922,-0.00010505,-0.00001721,-0.00030
 922,-0.00039532,0.00032654,0.00174276,0.00123453,0.00114241,-0.0001543
 6,0.00045804,-0.00010524,-0.00006366,0.00007862,-0.00013795,0.00002130
 ,0.00008889,0.00015386,0.00003138,-0.00007429,-0.00013695,0.00001085,0
 .00000365,0.00006219,0.00001290,0.00005029,0.00003916,-0.00400015,0.02
 272908,0.01943167,-0.09913015,0.03949535,0.04745893,0.03282801,-0.0064
 3410,-0.00482303,0.24556235,-0.00014831,0.00054513,-0.00007379,0.00010
 497,0.00025549,-0.00008165,0.00041373,-0.00113941,0.00047882,-0.001833
 29,0.00037307,-0.00195993,0.00043985,-0.00037678,0.00049955,0.00053910
 ,0.00037752,0.00042546,0.00002516,-0.00003486,-0.00019052,0.00000478,0
 .00003439,0.00011141,-0.00003639,0.00000061,-0.00004218,-0.00002526,-0
 .00003754,-0.00002796,0.00587060,-0.00352314,-0.00519118,0.02486092,-0
 .20857754,-0.03844510,0.00010021,-0.11167551,-0.00673207,0.00729240,0.
 38487710,0.00020499,0.00035485,0.00037331,0.00011264,-0.00004140,0.000
 08747,0.00062450,-0.00019311,0.00052493,-0.00221672,-0.00103272,-0.003
 78673,0.00088053,-0.00019623,0.00054985,0.00011714,0.00031522,0.000311
 65,0.00002653,-0.00010480,-0.00020781,0.00000737,0.00007041,0.00013845
 ,-0.00002802,0.00000577,-0.00005475,-0.00002999,-0.00004216,-0.0000301
 4,0.01851247,-0.02866254,-0.01347382,0.04894287,-0.06095067,-0.1299554
 1,-0.00427535,0.00189608,0.03550460,-0.27902918,0.00308532,0.41859756,
 -0.09316211,0.06865282,-0.06483352,0.00962691,-0.01289815,0.01014011,-
 0.00745084,0.02315114,-0.01781392,-0.00402585,-0.00256312,-0.00320530,
 -0.00092523,-0.00060590,0.00019810,-0.00097147,-0.00410131,-0.00039098
 ,0.00040258,0.00038902,0.00185502,-0.00020042,-0.00029512,-0.00008706,
 -0.00016615,-0.00004705,0.00041817,0.00000029,0.00003660,-0.00000102,-
 0.00018492,0.00112517,-0.00064381,0.00041076,0.00017609,-0.00048630,-0
 .00013399,-0.00019652,0.00024728,-0.00008261,0.00003033,0.00014515,0.0
 9648053,0.06828232,-0.19658115,0.12453219,0.01048802,-0.01468327,0.015
 32473,-0.00199445,0.00481487,-0.00222694,-0.00185832,0.00306027,0.0020
 8881,-0.00070093,-0.00005670,-0.00051751,-0.00465265,-0.00159060,0.002
 74475,0.00237532,-0.00038278,-0.00049380,-0.00011904,0.00020997,0.0000
 8643,0.00017160,-0.00026850,-0.00020231,0.00011952,-0.00006702,0.00003
 396,-0.00023476,0.00015794,-0.00000787,-0.00007188,0.00010182,0.000098
 69,0.00008664,-0.00001569,-0.00005172,0.00003893,-0.00006825,-0.000074
 03,-0.07329716,0.20595431,-0.06396160,0.12454739,-0.13779081,-0.004933
 59,0.00535893,-0.00170390,-0.00293205,0.00819989,-0.00330694,-0.003634
 42,0.00150754,0.00533109,0.00033460,-0.00047695,-0.00005058,0.00000180
 ,0.00276389,0.00433320,0.00100107,-0.00259289,-0.00177101,0.00050750,0
 .00071416,0.00039683,-0.00006921,0.00012703,0.00017663,-0.00000298,-0.
 00013565,-0.00003907,-0.00005969,0.00053738,-0.00001528,0.00022393,0.0
 0014690,-0.00028349,-0.00003278,-0.00011188,0.00011119,-0.00005138,0.0
 0000812,0.00005152,0.07243950,-0.13816928,0.13819437,-0.01237393,-0.02
 458461,0.00879114,-0.00362239,-0.00005577,-0.00425674,-0.14193189,-0.1
 2454283,0.03314020,0.01113579,0.00953936,-0.00277041,0.00012075,0.0015
 1264,-0.00309097,-0.00049970,0.00070693,-0.00044649,-0.00014574,-0.001
 13199,0.00045442,-0.00002106,-0.00011004,-0.00014780,-0.00005210,-0.00
 001315,0.00002194,-0.00000953,0.00003212,0.00000384,-0.00041382,0.0003
 1002,0.00088532,-0.00018198,0.00219145,-0.00101324,-0.00046476,-0.0009
 1938,0.00057422,0.00001339,-0.00065842,-0.00004738,0.00057805,0.001069
 12,0.00118112,0.14794339,0.00042228,0.00192186,0.00072889,-0.00099207,
 0.00318048,0.00237988,-0.12352716,-0.22587515,0.06498510,-0.01397593,-
 0.01455976,0.00534537,0.00206232,-0.00051636,0.00476081,0.00067861,0.0
 0021816,-0.00016509,0.00021486,-0.00005261,0.00015950,0.00000771,-0.00
 001111,-0.00002021,0.00001380,0.00000338,0.00000837,-0.00000155,0.0000
 0905,-0.00001537,-0.00004212,-0.00057127,-0.00182962,0.00026471,-0.001
 99605,0.00113811,-0.00065859,0.00115093,-0.00095825,0.00005927,0.00047
 558,-0.00002698,0.00056072,-0.00031515,-0.00208188,0.13568470,0.237578
 53,-0.00625735,-0.00940970,0.00612380,-0.00432658,0.00234989,0.0045356
 3,0.03270195,0.06571730,-0.06387268,0.01142345,0.01446885,-0.00055871,
 -0.00337414,0.00444450,0.00201693,-0.00057784,-0.00007972,-0.00075603,
 -0.00000182,-0.00045878,0.00028834,-0.00002006,0.00002363,0.00000086,0
 .00007821,0.00000907,0.00003826,0.00000678,0.00000693,-0.00003373,0.00
 177710,-0.00124692,-0.00166525,-0.00016474,0.00046004,0.00087629,0.000
 18902,-0.00012886,-0.00052402,0.00002576,-0.00034617,-0.00040266,0.001
 53443,-0.00182346,-0.00234968,-0.03305290,-0.07383345,0.05764631,-0.00
 086305,-0.00062492,0.00018625,-0.00414250,-0.00257994,-0.00293264,-0.0
 0081563,-0.00389195,-0.00034971,0.00842601,-0.01285707,0.00923048,-0.0
 9471779,0.07233312,-0.06472373,-0.00717184,0.02364738,-0.01700125,0.00
 011313,0.00105449,-0.00074188,-0.00000931,-0.00006900,-0.00018407,-0.0
 0001558,-0.00001116,0.00003567,-0.00004483,0.00004067,0.00000761,0.000
 92975,-0.00068009,0.00214765,-0.00029821,-0.00041449,0.00007663,0.0000
 7461,0.00018089,-0.00005579,0.00006261,0.00007623,-0.00004875,-0.00007
 000,0.00027085,0.00025329,0.00043001,-0.00073816,0.00042471,0.09800273
 ,-0.00075453,-0.00006218,-0.00060947,-0.00187455,0.00308781,0.00172651
 ,-0.00470878,-0.00182525,0.00251243,0.01118059,-0.01511326,0.01496038,
 0.07125707,-0.20099641,0.12183147,-0.00176594,0.00467138,-0.00209378,-
 0.00009239,0.00011283,-0.00003819,-0.00003205,0.00001507,0.00006626,0.
 00000797,-0.00001616,-0.00002133,0.00006704,-0.00000062,0.00001888,0.0
 0267713,-0.00052939,-0.00108822,-0.00001193,0.00024866,0.00035911,0.00
 019789,0.00025365,-0.00043298,0.00002372,0.00000713,-0.00009177,0.0002
 4635,-0.00025342,-0.00037526,0.00062932,-0.00067022,0.00093625,-0.0765
 7635,0.21075280,0.00015169,-0.00056698,-0.00016310,-0.00379638,0.00175
 232,0.00513357,0.00009111,0.00280230,0.00431123,-0.00448951,0.00563487
 ,-0.00145115,-0.06413382,0.12189289,-0.12917403,-0.00251003,0.00788371
 ,-0.00334611,0.00026575,0.00051156,-0.00008182,-0.00001544,-0.00003109
 ,-0.00004688,-0.00000560,-0.00003212,0.00000120,0.00004632,0.00001970,
 0.00003395,0.00091816,-0.00217549,-0.00259230,0.00015350,0.00077973,0.
 00069172,0.00003491,-0.00021474,-0.00016123,0.00002929,-0.00044272,-0.
 00024718,0.00025812,-0.00042002,-0.00078842,-0.00033586,0.00035175,0.0
 0012722,0.07237556,-0.13523430,0.12960891,0.00048734,0.00147593,-0.003
 16949,0.00931813,0.00953626,-0.00320148,-0.00057209,0.00073532,-0.0003
 6833,-0.00365310,-0.00016348,-0.00425308,-0.01259186,-0.02516252,0.008
 61981,-0.13796676,-0.12378663,0.02881960,0.00015878,0.00134467,0.00118
 989,-0.00008642,0.00010839,-0.00026212,-0.00002903,-0.00002327,0.00001
 951,-0.00012850,0.00038644,0.00024478,-0.00047819,-0.00106658,0.000547
 32,0.00013555,-0.00012723,-0.00066371,-0.00007549,-0.00007087,0.000251
 00,-0.00009465,0.00016904,0.00019125,0.00046960,0.00056083,-0.00022299
 ,-0.00009841,0.00009562,0.00034815,0.00053688,0.00101314,0.00112164,0.
 14493876,0.00217351,-0.00070070,0.00475888,-0.01500756,-0.01532504,0.0
 0467158,0.00085105,0.00008403,-0.00008347,-0.00081043,0.00331587,0.001
 96382,0.00031742,0.00123027,0.00085163,-0.12283737,-0.23010686,0.06079
 941,-0.00025864,-0.00011937,-0.00264367,0.00044954,-0.00012510,0.00066
 154,-0.00005498,0.00001501,-0.00010338,-0.00015316,0.00003192,0.000281
 82,0.00004494,-0.00002577,0.00011896,0.00010651,-0.00000821,-0.0001899
 2,-0.00008499,-0.00005428,0.00007718,-0.00006045,0.00006420,0.00005936
 ,-0.00077506,-0.00078634,0.00039063,0.00008643,-0.00028001,-0.00044133
 ,0.00037883,-0.00015029,-0.00191825,0.13500837,0.24213098,-0.00339309,
 0.00469800,0.00218569,0.00985671,0.01474510,-0.00085401,-0.00040587,-0
 .00013797,-0.00070714,-0.00383845,0.00247356,0.00452658,-0.00613430,-0
 .00959323,0.00528341,0.02886207,0.06067143,-0.05864609,0.00275514,-0.0
 0061093,-0.00187945,0.00010923,-0.00008815,0.00063565,0.00011903,0.000
 05627,-0.00009240,0.00009827,0.00005353,-0.00011967,-0.00048033,-0.000
 26484,0.00023239,0.00001343,0.00010611,-0.00022017,-0.00002799,-0.0001
 3223,0.00008715,-0.00001366,0.00001399,0.00000171,0.00053828,0.0008029
 5,0.00003624,0.00034916,-0.00049065,-0.00072156,0.00145317,-0.00164064
 ,-0.00229230,-0.02929218,-0.06915629,0.05293322,-0.00450090,0.00079356
 ,-0.00318156,-0.01187893,-0.03156132,-0.00371377,-0.00081895,-0.000615
 81,0.00113557,0.00011546,-0.00002664,-0.00009046,-0.00020733,0.0001076
 3,0.00028486,0.00111687,-0.00106780,0.00175498,-0.05978769,-0.05928191
 ,-0.01023550,0.00388742,0.02235598,0.00383053,-0.00296790,0.00123754,0
 .00313860,0.00065387,0.00024223,-0.00089765,0.00004104,-0.00001847,-0.
 00004748,0.00012239,-0.00008264,-0.00016199,-0.00008146,0.00002473,0.0
 0004506,-0.00005871,0.00009268,0.00008467,0.00018224,-0.00006853,-0.00
 030395,-0.00041756,0.00000202,-0.00006416,0.00002458,0.00001842,-0.000
 01018,0.00035260,0.00068099,-0.00065285,0.07324598,-0.00082296,0.00025
 481,-0.00075812,-0.00088527,-0.00169466,0.00070030,0.00046184,-0.00020
 212,0.00039362,0.00019812,0.00058474,-0.00019322,-0.00092223,0.0002567
 4,0.00007142,0.00182248,0.00059438,0.00134128,-0.06134084,-0.28217971,
 -0.02933935,-0.00238159,-0.01518495,-0.00205213,0.00320820,0.00058188,
 -0.00184115,-0.00075772,0.00053645,0.00087621,0.00005123,-0.00003703,-
 0.00011970,0.00009373,-0.00006651,-0.00006631,-0.00003602,0.00002666,0
 .00001960,-0.00003678,0.00006158,0.00004983,0.00018995,0.00020923,-0.0
 0011576,-0.00004566,-0.00002604,-0.00006537,-0.00004087,-0.00002922,-0
 .00006406,0.00001874,0.00028269,-0.00081208,0.06397260,0.30837337,-0.0
 0150852,0.00057013,-0.00037683,-0.00226300,-0.01040524,-0.00137032,0.0
 0024079,-0.00032512,0.00061777,-0.00005977,0.00015253,-0.00020604,0.00
 011332,-0.00012716,-0.00004655,-0.00020369,-0.00068752,0.00067646,-0.0
 1045051,-0.02758929,-0.05299519,-0.00361541,-0.02163332,-0.00469384,0.
 00341786,-0.00045878,-0.00221200,-0.00093664,-0.00110245,0.00096801,0.
 00001163,0.00000385,0.00006077,-0.00000017,0.00002945,-0.00006037,-0.0
 0001337,-0.00002111,0.00002559,-0.00001821,0.00000731,0.00001338,-0.00
 008183,-0.00033026,0.00013355,-0.00008692,-0.00001823,-0.00007531,0.00
 002344,-0.00000371,-0.00000318,-0.00009996,0.00044790,-0.00012698,0.00
 858475,0.03358487,0.05372654,0.00107855,0.00178498,-0.00007781,-0.0059
 9387,0.01570939,-0.02946956,0.00002324,0.00017641,0.00016994,0.0000758
 7,0.00003714,-0.00014210,-0.00062275,0.00137999,0.00010715,-0.00473759
 ,-0.00207913,-0.00145636,-0.04651817,0.00544650,-0.01766826,0.00004819
 ,-0.00963224,0.02102554,0.00056760,-0.00091952,-0.00042294,-0.00296542
 ,0.00264933,0.00232965,-0.00001887,-0.00013168,-0.00000291,0.00011647,
 0.00005796,-0.00020137,-0.00005997,-0.00006538,0.00009631,-0.00005240,
 0.00003283,0.00007110,0.00015248,-0.00082437,0.00029862,0.00003196,-0.
 00001809,0.00002044,-0.00042939,0.00005035,-0.00006892,0.00013689,-0.0
 0017709,-0.00026336,0.00008851,-0.00310198,0.00731657,0.05840297,-0.00
 125082,0.00020492,-0.00096445,0.00106617,0.00023824,-0.00198767,0.0006
 5789,-0.00007767,-0.00022273,-0.00014067,0.00011542,-0.00019967,0.0001
 0674,0.00008545,0.00003138,0.00005290,0.00044720,0.00051797,0.00620863
 ,-0.10138983,0.10296432,-0.00017520,0.00497152,-0.01371318,-0.00021855
 ,0.00116706,-0.00080169,0.00166297,-0.00100390,-0.00138412,-0.00001129
 ,0.00006852,0.00008204,-0.00006684,0.00005429,0.00003679,0.00003056,-0
 .00001393,-0.00002114,0.00001231,-0.00002991,-0.00002876,-0.00010989,0
 .00037001,0.00030351,0.00002851,0.00000855,0.00002806,0.00003338,-0.00
 001878,0.00000054,-0.00010898,0.00042289,-0.00019537,0.00253552,-0.013
 44414,0.02758354,-0.00987207,0.10643471,0.00161664,0.00112904,0.001062
 67,-0.00128469,0.00557742,-0.00909956,-0.00070869,0.00008774,0.0000877
 2,0.00001930,-0.00053468,0.00030307,0.00058381,0.00077769,0.00017194,-
 0.00214016,-0.00091324,-0.00035697,-0.01975337,0.10145007,-0.24703571,
 0.00019810,0.00926226,-0.02098337,-0.00092122,0.00123714,0.00042266,0.
 00385199,-0.00297075,-0.00063500,0.00000186,-0.00013917,-0.00001316,0.
 00010722,0.00004352,-0.00015264,-0.00005275,-0.00005642,0.00008082,-0.
 00004275,0.00002481,0.00005180,-0.00019086,-0.00095902,0.00001186,-0.0
 0001488,-0.00002592,-0.00005290,-0.00014061,-0.00003449,-0.00009776,0.
 00012536,-0.00005823,-0.00003240,0.00080997,-0.00131195,0.00465442,0.0
 1791878,-0.11231670,0.27040460,-0.00016081,0.00000522,-0.00029471,-0.0
 0021393,0.00239347,0.00417274,-0.00000009,-0.00010676,-0.00026932,-0.0
 0005541,0.00005533,0.00006664,-0.00000653,-0.00016571,-0.00026222,-0.0
 0024669,-0.00024002,-0.00017890,-0.02477785,-0.00130375,-0.00781936,-0
 .23999868,-0.03015038,-0.09813266,-0.00419954,-0.00157986,-0.00205738,
 0.00123822,0.00037627,0.00052895,-0.00002753,-0.00006223,0.00005418,0.
 00018783,0.00000674,-0.00026077,-0.00010875,-0.00006514,0.00011488,-0.
 00009328,0.00008010,0.00009492,-0.00003855,0.00002019,0.00013600,-0.00
 004084,-0.00002432,-0.00001530,-0.00005493,0.00001527,-0.00004384,-0.0
 0002884,0.00012881,0.00009804,0.00086171,0.00046643,-0.00043079,0.0006
 3406,-0.00076160,0.00016021,0.26288460,0.00036855,-0.00010209,0.000365
 77,0.00096501,-0.00049152,-0.00236549,0.00002010,0.00021647,0.00012586
 ,0.00005658,-0.00002714,-0.00001986,-0.00004428,0.00005145,0.00007571,
 0.00002760,0.00005919,0.00021423,0.01447767,0.00044910,0.00430080,-0.0
 3006037,-0.05136641,-0.01440117,-0.03093561,-0.00918444,-0.01594462,0.
 01402092,0.00133714,0.00890804,0.00000388,0.00002138,-0.00002227,-0.00
 004343,-0.00002584,0.00006892,0.00002597,0.00003462,-0.00003214,0.0000
 1906,-0.00000768,-0.00001872,0.00003102,0.00002569,-0.00019414,0.00006
 095,0.00000525,-0.00000334,0.00002101,-0.00000144,0.00001619,0.0000047
 4,-0.00003186,-0.00003751,0.00001110,0.00041339,0.00074901,-0.00067380
 ,0.00039038,0.00018200,0.03169630,0.06232219,0.00023724,0.00010314,0.0
 0037279,0.00153611,-0.00204795,-0.00255676,-0.00003657,0.00016678,0.00
 011102,0.00009493,-0.00003040,-0.00001990,-0.00004175,-0.00001507,0.00
 029456,0.00046787,0.00032437,0.00029726,0.02132774,0.00083539,0.006087
 99,-0.09794016,-0.01440970,-0.09535720,-0.00339773,-0.00126754,-0.0017
 1314,-0.02717308,-0.00232137,-0.01767754,-0.00000252,0.00001707,-0.000
 02307,-0.00003376,-0.00001529,0.00006092,0.00002098,0.00002637,-0.0000
 2486,0.00001698,-0.00001147,-0.00001600,0.00001882,0.00000408,-0.00014
 748,0.00005218,0.00000697,0.00000469,0.00007703,-0.00002150,0.00001693
 ,0.00000458,-0.00020976,-0.00010615,-0.00066094,0.00044475,0.00081713,
 -0.00028290,0.00056567,0.00106453,0.10381683,0.01644764,0.11042829,-0.
 00000426,0.00032201,-0.00033789,-0.00003453,-0.00005996,0.00001711,0.0
 0003780,-0.00014367,0.00003554,0.00001118,-0.00000901,0.00003249,0.000
 06849,-0.00003944,0.00003068,-0.00003965,-0.00002420,0.00005432,0.0002
 6706,0.00047670,-0.00058690,-0.00160133,-0.00200121,0.00481297,-0.0475
 4418,-0.00062713,0.00139692,0.00020378,-0.00092354,-0.00029338,-0.0000
 0828,-0.00001324,0.00001326,-0.00002917,0.00002198,0.00002038,0.000022
 04,-0.00000429,-0.00000078,0.00001452,-0.00001791,-0.00000958,-0.00028
 845,-0.00001248,0.00028518,-0.00000964,-0.00000245,-0.00002546,0.00000
 473,-0.00000976,0.00000038,0.00000049,-0.00002074,0.00001835,-0.000099
 71,-0.00005677,0.00002455,0.00014347,0.00008718,0.00001533,0.00002315,
 0.00023157,0.00042138,0.04637087,0.00002301,-0.00022125,0.00017372,0.0
 0010693,-0.00004897,-0.00018878,0.00003661,0.00010315,-0.00004269,-0.0
 0001272,0.00001098,-0.00002188,-0.00005772,0.00005301,-0.00004016,-0.0
 0008472,-0.00008667,-0.00004243,-0.00012768,0.00136689,0.00159899,0.00
 077513,-0.01450931,0.03042822,-0.00068323,-0.10022938,0.10323083,-0.00
 107180,-0.00655334,-0.00273510,0.00000269,0.00001234,-0.00000390,0.000
 01275,-0.00000974,-0.00000703,-0.00001014,0.00000271,-0.00000275,-0.00
 000863,0.00000837,0.00000193,0.00020961,0.00013090,-0.00009230,-0.0000
 0442,0.00000163,0.00000772,-0.00001880,0.00000607,-0.00000308,-0.00002
 309,0.00006988,0.00001787,-0.00037133,0.00040813,-0.00020522,0.0003604
 0,-0.00006230,-0.00103231,-0.00033094,0.00126955,-0.00026353,0.0016416
 4,0.11084818,0.00003459,0.00039066,-0.00041660,0.00007919,0.00002608,0
 .00008486,0.00001778,-0.00015009,0.00008531,0.00001898,0.00002317,0.00
 002728,0.00002451,-0.00005088,0.00005672,-0.00001747,-0.00001739,0.000
 07642,-0.00004119,-0.00032782,0.00056552,0.00037023,-0.00251375,0.0034
 8853,0.00120026,0.10489527,-0.25166669,0.00029587,-0.00025520,0.001107
 83,-0.00000705,-0.00003528,0.00001178,0.00003853,0.00004392,-0.0000547
 6,-0.00001847,-0.00003678,0.00004046,-0.00001320,-0.00000743,0.0000148
 3,0.00006987,-0.00018442,0.00026421,-0.00002283,-0.00000244,-0.0000203
 5,0.00000533,-0.00001026,-0.00000975,0.00001333,-0.00005614,-0.0000006
 1,-0.00006955,0.00003881,0.00025777,-0.00027512,0.00012968,0.00039152,
 0.00036179,0.00061092,0.00051194,-0.00221295,-0.11537555,0.27316799,-0
 .00086206,0.00036056,0.00064695,-0.00015071,0.00077427,0.00020305,-0.0
 0004423,0.00006611,0.00015645,0.00005037,0.00004829,-0.00007318,-0.000
 10426,-0.00003150,-0.00003107,0.00021622,-0.00011810,0.00024615,-0.000
 02378,0.00009584,0.00044271,-0.00421317,-0.00230767,-0.00236146,-0.242
 22242,-0.04136117,-0.10466645,0.00032166,0.00045805,-0.00009728,0.0000
 0629,0.00000689,-0.00001577,-0.00000556,-0.00003057,0.00002309,0.00000
 994,0.00002398,-0.00000594,0.00000320,0.00001023,0.00000394,-0.0002281
 0,0.00022883,0.00003188,0.00003022,-0.00000295,-0.00002243,0.00001140,
 -0.00001292,0.00000233,0.00000160,-0.00001653,-0.00002021,0.00003022,-
 0.00014195,-0.00008214,-0.00000217,-0.00001660,0.00002760,0.00118288,-
 0.00087664,0.00031173,0.00125970,0.00092903,0.00085633,0.26458642,0.00
 046229,0.00003440,-0.00015867,0.00041625,-0.00015718,-0.00040481,0.000
 17621,0.00001547,0.00007229,0.00005739,0.00010426,-0.00004158,-0.00011
 461,-0.00004962,-0.00000833,0.00016008,-0.00011266,0.00022942,-0.00041
 430,0.00123044,0.00022702,-0.03100818,-0.00688583,-0.01574597,-0.04009
 772,-0.05556715,-0.02063547,-0.00043464,0.00190752,-0.00124430,-0.0000
 0027,-0.00001358,0.00002283,0.00007403,0.00003031,-0.00009418,-0.00004
 610,-0.00004264,0.00004447,-0.00003368,0.00001207,0.00002663,0.0000302
 8,0.00000239,0.00005967,-0.00002188,-0.00000285,0.00001506,-0.00000276
 ,0.00000084,-0.00001336,-0.00001237,0.00001910,-0.00002289,0.00007786,
 0.00019933,0.00027461,0.00006836,-0.00010591,-0.00001312,-0.00081615,-
 0.00672992,-0.00072927,0.01351506,0.00234594,0.00599532,0.04638540,0.0
 6183724,-0.00002433,-0.00007726,0.00034916,-0.00032438,-0.00009303,-0.
 00010196,0.00028083,0.00014946,0.00025820,0.00009666,0.00017921,-0.000
 13347,-0.00027902,-0.00002388,-0.00014648,0.00028839,-0.00017306,0.000
 17540,-0.00066195,0.00006471,-0.00004239,-0.00339989,-0.00116647,-0.00
 292270,-0.10341442,-0.02147121,-0.10289921,0.00109391,0.00029398,0.000
 65547,0.00001638,0.00001322,-0.00000257,0.00009039,-0.00003925,-0.0000
 9138,-0.00006129,-0.00000373,0.00002977,-0.00004556,0.00004882,0.00003
 895,0.00012356,0.00002833,-0.00063718,0.00002688,-0.00000745,0.0000052
 6,-0.00001538,0.00002197,0.00000414,-0.00000183,0.00007264,-0.00003819
 ,0.00016694,0.00001501,0.00008298,-0.00003400,0.00002221,0.00004546,0.
 00035111,-0.00078869,0.00078071,-0.02535598,-0.00562009,-0.01311882,0.
 11501105,0.02460597,0.10814495,-0.00021550,0.00005115,0.00019625,0.000
 07255,-0.00005054,0.00005041,0.00018952,0.00009531,0.00019560,0.000086
 74,0.00013129,-0.00007436,-0.00019420,-0.00002514,-0.00008353,0.000175
 74,-0.00014209,0.00014223,0.00068599,-0.00117772,-0.00032681,0.0035777
 2,-0.00299332,-0.00334552,-0.18972221,0.07529425,0.10586925,0.00004145
 ,-0.00020025,-0.00012959,0.00001061,-0.00000365,0.00000387,0.00009457,
 -0.00000191,-0.00009863,-0.00006397,-0.00002778,0.00003863,-0.00004535
 ,0.00003077,0.00003194,0.00000547,0.00011055,-0.00027361,0.00000091,-0
 .00000834,0.00000462,-0.00001782,0.00001503,-0.00000783,0.00000587,0.0
 0003606,-0.00001771,0.00015059,-0.00016806,-0.00008922,-0.00006323,-0.
 00004917,0.00005789,0.00084038,0.00053399,-0.00010139,0.00024146,-0.00
 108588,-0.00053292,-0.02022545,0.01060571,0.01615286,0.20405019,-0.000
 15611,-0.00010425,0.00035159,-0.00115172,0.00013066,-0.00020705,0.0001
 3406,0.00007608,0.00006388,0.00005651,0.00010574,-0.00008818,-0.000165
 47,-0.00003697,-0.00001724,0.00029152,-0.00000628,0.00023421,-0.002147
 52,-0.00631450,0.00050342,0.02559197,-0.01348902,-0.01805003,0.0737490
 1,-0.08457276,-0.05385756,0.00091704,0.00135554,-0.00109036,0.00000636
 ,0.00002744,-0.00002048,-0.00003326,-0.00002374,0.00005305,0.00002141,
 0.00002547,-0.00002398,0.00001846,-0.00000523,-0.00001108,-0.00000162,
 0.00008623,-0.00019130,0.00002947,0.00000555,0.00000842,0.00002149,-0.
 00000739,0.00001208,-0.00000409,0.00000095,-0.00006333,0.00136098,-0.0
 0099112,-0.00131020,-0.00020829,0.00027124,0.00002094,-0.00030692,0.00
 143915,-0.00007964,-0.01191413,0.00583250,0.00732271,-0.00401395,0.001
 78119,0.00416578,-0.08121627,0.09423777,0.00004545,0.00027400,-0.00018
 810,-0.00031145,0.00008957,0.00004081,0.00001992,-0.00006767,0.0001193
 2,0.00005091,0.00003326,0.00000490,-0.00003689,-0.00001827,-0.00001569
 ,0.00015172,-0.00002898,0.00016158,-0.00090217,-0.00103353,0.00039932,
 0.00256049,-0.00150404,-0.00370316,0.10590927,-0.05478454,-0.12544493,
 -0.00047554,0.00073683,0.00050263,0.00000647,0.00000096,-0.00000827,-0
 .00004223,-0.00000350,0.00005086,0.00002901,0.00001500,-0.00001994,0.0
 0002228,-0.00001438,-0.00001518,-0.00008879,-0.00009307,0.00005809,0.0
 0000995,0.00000173,-0.00001367,0.00001379,-0.00000783,0.00000742,0.000
 00414,0.00000399,-0.00002250,0.00043767,-0.00039183,0.00009701,-0.0001
 8233,0.00013982,0.00050236,-0.00011574,-0.00004432,-0.00016117,0.02149
 146,-0.01143145,-0.01534269,-0.01116114,0.00673612,0.00914433,-0.11720
 633,0.06138451,0.13343884,0.00024813,0.00020238,0.00003689,-0.00038929
 ,-0.00012930,0.00077860,-0.00010611,-0.00000097,-0.00005157,0.00003993
 ,-0.00010778,0.00000411,-0.00002683,0.00011275,0.00014249,-0.00089072,
 0.00053900,0.00058998,0.00004399,0.00039299,0.00013423,0.00133572,0.00
 058970,-0.00066649,0.00049117,-0.00000165,0.00026545,-0.23932420,-0.02
 927561,-0.11051873,0.00000341,0.00000286,-0.00001538,-0.00000356,-0.00
 001341,0.00002458,0.00000736,0.00001478,-0.00000459,0.00000688,0.00000
 090,0.00000020,0.00000353,-0.00001109,-0.00002040,0.00000970,0.0000067
 2,-0.00000447,0.00003421,-0.00002362,-0.00000535,-0.00025340,-0.000122
 64,0.00013115,-0.00001536,0.00002839,0.00002300,0.00005112,-0.00001522
 ,-0.00020813,0.00130686,0.00003516,0.00064709,0.00021320,0.00014403,0.
 00010069,0.00020229,0.00051886,-0.00017900,-0.00013396,-0.00001475,-0.
 00007029,0.26100508,0.00012753,0.00000029,-0.00005756,-0.00038604,0.00
 022810,-0.00010962,-0.00016946,-0.00006287,-0.00006109,0.00001603,-0.0
 0012380,0.00004723,0.00015938,0.00004477,0.00017831,-0.00008707,0.0002
 8570,0.00002853,-0.00022143,0.00018643,-0.00071253,0.01414371,0.001017
 45,0.00755021,0.00133768,0.00125763,0.00008664,-0.02889118,-0.05218566
 ,-0.01667636,-0.00000495,-0.00001708,0.00000883,0.00004942,0.00001721,
 -0.00005084,-0.00003206,-0.00002862,0.00002509,-0.00001762,0.00000290,
 0.00001216,-0.00000692,-0.00004094,0.00003629,-0.00001012,0.00000246,0
 .00001995,0.00002258,-0.00000168,-0.00000392,0.00006712,-0.00045789,-0
 .00031111,-0.00007090,0.00000371,0.00007840,0.00009578,-0.00003079,-0.
 00008074,0.00003245,-0.00091635,0.00313697,-0.00019457,0.00015055,-0.0
 0026826,-0.00043961,-0.00006495,-0.00005732,0.00005651,-0.00006395,0.0
 0001016,0.03132479,0.05298060,0.00037254,0.00031238,0.00003875,0.00010
 001,-0.00030321,-0.00022600,-0.00024447,0.00000909,-0.00012853,0.00005
 635,-0.00022638,0.00011175,0.00030237,0.00007494,0.00023924,0.00027501
 ,0.00003346,0.00014219,-0.00085901,-0.00025544,0.00083246,-0.02757736,
 -0.00375453,-0.01648194,-0.00012499,-0.00155602,0.00113073,-0.10864289
 ,-0.01616572,-0.10884135,-0.00000418,-0.00003690,0.00002713,0.00011334
 ,-0.00000021,-0.00013232,-0.00006956,-0.00003485,0.00005519,-0.0000539
 3,0.00004090,0.00004494,-0.00002453,-0.00006090,0.00002066,-0.00000214
 ,-0.00000520,0.00000521,-0.00000943,0.00002079,-0.00000720,0.00005231,
 -0.00026868,-0.00011980,0.00005573,0.00004984,-0.00005062,0.00015384,0
 .00010638,0.00029267,0.00074299,0.00318071,-0.00516599,0.00034651,-0.0
 0020510,0.00013046,0.00042682,0.00077049,0.00046517,0.00010125,0.00009
 471,-0.00000174,0.12152328,0.01569537,0.12038928,-0.00002046,0.0000600
 1,0.00002990,-0.00002980,0.00008911,-0.00001535,0.00009722,0.00004608,
 -0.00001228,0.00002144,0.00004265,0.00000338,0.00005294,0.00012354,-0.
 00011420,-0.00010211,-0.00052986,0.00009887,0.00015696,-0.00083278,-0.
 00023540,-0.00175548,-0.00033902,-0.00007809,0.00039854,0.00004505,0.0
 0044146,-0.05448646,-0.04122152,-0.00470402,0.00000362,0.00002191,-0.0
 0000474,-0.00003270,-0.00001659,0.00003333,0.00002295,0.00002191,-0.00
 001657,0.00001131,0.00000140,-0.00000549,0.00001433,0.00003155,-0.0000
 2294,0.00000611,0.00000246,-0.00000829,-0.00000784,-0.00002055,-0.0000
 1561,-0.00025083,0.00033980,0.00011251,0.00004928,0.00013899,0.0002104
 3,-0.00000470,0.00014470,-0.00005956,0.00015699,0.00037075,0.00033882,
 0.00057362,-0.00014529,-0.00007374,0.00027172,0.00041753,0.00003071,0.
 00015511,-0.00036866,-0.00018443,-0.00376748,-0.02807412,-0.00265351,0
 .05377032,0.00003895,0.00003319,0.00008088,0.00001780,0.00010927,0.000
 14048,0.00005602,0.00007813,-0.00001617,0.00001855,0.00001678,0.000021
 08,0.00001560,0.00015183,-0.00007929,-0.00008214,-0.00051440,0.0001075
 9,0.00015410,0.00034553,-0.00104432,-0.00229474,-0.01492608,-0.0028435
 2,0.00037474,0.00004053,0.00427423,-0.04152850,-0.29404818,-0.02837417
 ,0.00001147,0.00000280,-0.00001253,0.00001708,-0.00004277,-0.00001575,
 -0.00000560,0.00002490,-0.00000019,-0.00001488,0.00003338,0.00001836,0
 .00003648,0.00002782,-0.00007127,0.00001446,-0.00000346,-0.00001005,-0
 .00001450,-0.00000845,-0.00001306,0.00005513,0.00029629,-0.00005880,-0
 .00036909,0.00073616,0.00052916,0.00021763,0.00032700,0.00004832,0.000
 54722,0.00042846,0.00014402,-0.00030028,-0.00112350,0.00000360,0.00003
 352,0.00027588,-0.00014003,-0.00001466,0.00042453,-0.00008690,-0.00056
 890,-0.00338610,-0.00076620,0.04547128,0.32219130,-0.00006702,0.000072
 10,-0.00007045,0.00012318,-0.00009874,-0.00007106,-0.00002717,-0.00000
 296,0.00000752,-0.00000252,-0.00000895,0.00001346,0.00004552,0.0000084
 7,0.00000755,0.00001639,-0.00013700,-0.00001116,-0.00012532,0.00080455
 ,0.00166888,0.00585964,0.02992262,0.00405324,0.00017447,0.00173215,-0.
 00568740,-0.00515126,-0.02996861,-0.05071226,-0.00000114,-0.00001298,0
 .00000552,0.00002419,0.00000129,-0.00002975,-0.00001355,-0.00000636,0.
 00001380,-0.00001380,0.00001057,0.00001032,-0.00001491,0.00000236,0.00
 002846,-0.00001055,-0.00000231,-0.00000757,-0.00001916,-0.00000015,-0.
 00000822,0.00017826,0.00005249,0.00007022,0.00008701,-0.00057730,-0.00
 030469,-0.00041546,-0.00014329,0.00024274,-0.00031958,-0.00064391,0.00
 121673,0.00024610,0.00198676,0.00017461,0.00019263,-0.00006582,-0.0000
 5064,-0.00027697,-0.00004422,0.00001560,-0.00126879,-0.01565611,-0.002
 35769,0.00487804,0.02972916,0.05425708,0.00017240,0.00015133,-0.000041
 31,0.00026012,0.00006458,0.00003244,-0.00016627,-0.00002138,-0.0000819
 1,0.00005047,-0.00013154,0.00007943,0.00017647,0.00009405,0.00018672,-
 0.00018608,0.00005758,0.00012822,0.00092713,-0.00043070,-0.00019419,-0
 .00080783,0.00021775,-0.00080313,-0.00009439,0.00032176,-0.00024644,-0
 .18989458,0.07359596,0.10646113,0.00000095,-0.00003226,0.00001605,0.00
 009740,0.00001163,-0.00010679,-0.00006264,-0.00003703,0.00004434,-0.00
 004608,0.00002644,0.00003106,-0.00000081,-0.00002633,0.00002582,-0.000
 01307,-0.00000633,0.00000587,-0.00001220,0.00001156,-0.00001476,-0.000
 03625,-0.00022729,-0.00006188,-0.00001525,0.00013741,-0.00001669,-0.00
 003550,0.00015633,0.00006390,0.00079157,-0.00037578,0.00024093,0.00018
 882,-0.00020032,-0.00020721,-0.00013466,0.00005747,0.00008774,0.000316
 05,-0.00051193,0.00001641,-0.02011269,0.01118233,0.01566962,0.00468255
 ,-0.00188486,-0.00409783,0.20397621,-0.00006205,-0.00000533,-0.0000083
 0,0.00034340,0.00004120,0.00012145,0.00009053,-0.00001425,0.00002234,0
 .00001244,0.00008763,-0.00001392,-0.00007200,0.00009953,-0.00008811,0.
 00007552,-0.00047849,0.00002736,-0.00022413,-0.00138298,0.00233237,-0.
 01230558,0.00467803,0.00806305,-0.00075546,0.00104449,0.00041247,0.074
 57618,-0.08583613,-0.05574810,0.00000958,0.00001689,-0.00001046,-0.000
 03499,0.00000328,0.00003917,0.00002239,0.00000890,-0.00001677,0.000017
 00,-0.00001254,-0.00001248,0.00000713,0.00001583,0.00000740,0.00000103
 ,0.00000158,-0.00000404,-0.00000429,-0.00001396,-0.00000678,-0.0000282
 6,0.00025262,-0.00001235,0.00001448,0.00034351,0.00019899,-0.00034224,
 0.00060252,0.00059044,0.00007243,0.00043114,-0.00079144,0.00007628,0.0
 0022366,-0.00019363,-0.00003756,-0.00007111,-0.00001396,0.00020159,-0.
 00017843,0.00008703,-0.00362477,0.00120295,0.00324363,0.02417864,-0.01
 148827,-0.01695689,-0.08220715,0.09042797,0.00036730,0.00020133,0.0001
 6935,-0.00114611,0.00000754,-0.00006479,-0.00016412,0.00003680,-0.0000
 6987,0.00005347,-0.00015239,0.00007150,0.00014866,0.00007096,0.0001161
 7,-0.00011567,0.00014661,0.00017033,-0.00101266,0.00404369,-0.00478622
 ,0.02299036,-0.01199963,-0.01746463,0.00015180,-0.00141664,0.00094073,
 0.10538403,-0.05470255,-0.12397541,0.00000190,0.00000726,-0.00001578,-
 0.00003814,-0.00001556,0.00005852,0.00002685,0.00002252,-0.00002428,0.
 00002321,-0.00001153,-0.00001493,-0.00000788,-0.00005833,-0.00003121,0
 .00002139,0.00000883,0.00000245,0.00003211,-0.00001019,0.00000844,-0.0
 0006832,-0.00013245,-0.00006642,-0.00029782,0.00014079,0.00038448,0.00
 144427,-0.00055706,-0.00130879,-0.00046951,-0.00074081,0.00089421,-0.0
 0044323,-0.00013377,0.00018014,-0.00004730,0.00010545,0.00000756,-0.00
 027818,0.00083565,0.00039012,-0.01138185,0.00713653,0.00959717,0.00202
 343,-0.00156056,-0.00247178,-0.11721205,0.05872973,0.13730132,0.000270
 03,0.00129455,-0.00082406,0.00010985,-0.00023246,0.00016315,-0.0054319
 1,-0.00213275,-0.00119980,-0.01060976,0.02697568,-0.01763731,0.0014589
 2,0.00208485,-0.00074953,-0.00019110,-0.00002206,-0.00000940,-0.000013
 60,-0.00008146,0.00004652,0.00001099,-0.00000190,-0.00001654,-0.000002
 61,0.00000662,0.00000286,-0.00000776,0.00000489,-0.00000525,-0.0572119
 4,0.04785775,-0.02394346,0.00577870,-0.02055270,0.01085418,-0.00489119
 ,-0.00075490,0.00374194,-0.00072640,0.00044780,-0.00023129,-0.00042413
 ,-0.00001817,-0.00014398,0.00010329,0.00003610,0.00016712,-0.00018068,
 -0.00110292,0.00048920,0.00004563,0.00002173,0.00005918,-0.00003236,-0
 .00001115,-0.00000581,0.00001804,-0.00001424,0.00001867,-0.00000631,-0
 .00000048,0.00000473,0.00000669,-0.00000720,0.00000846,0.00000481,-0.0
 0000129,-0.00001004,-0.00000641,-0.00000046,0.00000422,0.00000396,0.00
 000789,-0.00000219,-0.00000521,-0.00000754,-0.00000162,0.00000015,-0.0
 0000242,0.00000326,0.07011411,-0.00029757,-0.00004208,-0.00003030,-0.0
 0008112,0.00018034,-0.00011846,-0.00054402,0.00060525,-0.00005938,-0.0
 0009345,0.00105432,-0.00033001,-0.00243573,0.00045430,-0.00112582,0.00
 029226,0.00023214,-0.00005671,-0.00001223,0.00002360,-0.00003676,-0.00
 000262,-0.00000093,0.00001258,-0.00000646,0.00000014,-0.00000788,0.000
 00422,-0.00000122,-0.00000291,0.04910040,-0.23747679,0.10672778,-0.000
 55814,-0.00645119,0.00215359,0.00000273,0.00174355,0.00115299,0.001278
 44,0.00092064,-0.00207170,0.00002883,-0.00001877,-0.00005258,-0.000056
 39,0.00002346,-0.00012497,0.00013011,0.00054235,-0.00010471,0.00003609
 ,-0.00001669,-0.00000096,0.00001045,0.00000615,0.00000544,-0.00000833,
 -0.00000623,0.00000359,0.00000818,0.00000157,-0.00000238,-0.00000239,0
 .00000205,-0.00000251,0.00000097,-0.00000126,0.00000673,0.00000426,-0.
 00000135,-0.00000180,-0.00000140,-0.00000265,0.00000636,-0.00000043,0.
 00000402,0.00000199,0.00000365,-0.00000269,-0.00000176,-0.05000756,0.2
 6088699,0.00017525,0.00067707,-0.00008449,0.00005799,-0.00018964,0.000
 19842,-0.00242736,-0.00059511,0.00048668,-0.00471733,0.00966056,-0.006
 71783,0.00175453,0.00052435,0.00033066,-0.00020858,-0.00020208,-0.0001
 7209,-0.00000208,-0.00003801,0.00005623,0.00000189,-0.00000501,-0.0000
 1560,-0.00000430,0.00000467,0.00000130,-0.00000033,0.00000658,-0.00000
 045,-0.02393612,0.10177958,-0.10752888,-0.00947200,0.02540957,-0.01159
 302,0.00587953,0.00039354,-0.00344731,0.00111592,-0.00173115,0.0005286
 7,-0.00013176,-0.00007098,-0.00016919,0.00021548,-0.00015295,-0.000031
 63,-0.00019780,-0.00047363,0.00051612,0.00001763,-0.00001748,-0.000037
 86,-0.00002199,-0.00000530,-0.00000116,0.00001752,0.00000355,0.0000045
 5,-0.00000856,0.00000327,0.00000300,0.00000455,-0.00000282,0.00000270,
 0.00000309,-0.00000500,-0.00000665,-0.00000602,0.00000061,0.00000326,0
 .00000195,-0.00000156,-0.00000392,-0.00000019,-0.00000239,-0.00000062,
 -0.00000390,-0.00000025,0.00000237,0.02774443,-0.11175839,0.11751465,0
 .00020185,0.00017056,0.00098750,-0.00020019,-0.00058086,-0.00001127,-0
 .00029641,-0.00087140,-0.00048870,-0.00734448,-0.02642240,-0.02213422,
 -0.00164212,0.00114532,-0.00164844,-0.00134698,0.00058770,0.00107470,0
 .00009059,0.00006926,0.00011519,0.00002173,-0.00008015,-0.00014011,-0.
 00003749,-0.00001589,0.00003603,-0.00004520,0.00004291,0.00000491,-0.0
 7293662,-0.00869085,-0.00713574,0.00363848,0.01740004,0.01423604,-0.00
 110394,0.00113324,0.00041172,-0.00383979,0.00078542,0.00459436,0.00002
 016,0.00003215,-0.00006819,-0.00007627,-0.00004863,-0.00035138,0.00022
 196,-0.00051578,-0.00045681,-0.00026418,-0.00005015,-0.00001484,-0.000
 04567,-0.00004270,-0.00000536,-0.00005940,0.00002721,-0.00005846,-0.00
 007082,0.00002696,0.00003915,0.00001427,-0.00000440,-0.00000228,0.0000
 2567,-0.00002064,-0.00003005,-0.00003131,0.00002230,0.00001184,0.00002
 106,-0.00001999,-0.00004123,0.00002122,0.00000043,-0.00000305,-0.00003
 800,0.00000939,0.00001828,0.00078813,0.00459992,0.00454786,0.57641493,
 -0.00069209,-0.00031960,-0.00000787,0.00027631,0.00050910,0.00002486,0
 .00237494,-0.00024841,0.00084471,-0.00973776,-0.00220437,-0.00489846,0
 .00071631,0.00011546,-0.00023112,0.00005152,-0.00005571,0.00031130,-0.
 00000052,-0.00009071,-0.00016569,0.00002417,0.00004968,0.00008442,0.00
 001876,0.00000642,-0.00000770,0.00000237,-0.00001924,0.00000020,-0.004
 81311,-0.14113870,-0.04404619,0.00822155,0.00260413,-0.00751845,-0.001
 28162,-0.00229983,0.00227792,-0.00237638,0.00120716,0.00148083,0.00009
 554,-0.00005997,-0.00004827,0.00004037,-0.00005668,0.00044507,0.000152
 50,0.00004106,-0.00021545,0.00006447,0.00002310,0.00003820,0.00001884,
 0.00000382,0.00001189,0.00002291,0.00000104,0.00003065,0.00004201,-0.0
 0002009,-0.00001826,0.00000210,0.00000089,0.00001134,-0.00001167,0.000
 01739,-0.00000547,0.00000372,-0.00001286,-0.00000684,-0.00000850,0.000
 00239,0.00001207,-0.00000158,0.00000041,0.00000601,0.00001030,-0.00000
 086,-0.00001039,-0.00298636,-0.02216506,-0.02101276,-0.00831594,0.5068
 2639,0.00031025,0.00013630,0.00047974,0.00005804,-0.00045434,0.0002089
 0,0.00016518,-0.00057289,0.00044744,-0.00973042,-0.01092901,-0.0104541
 8,0.00175907,0.00105872,-0.00091601,-0.00055925,0.00012855,-0.00016881
 ,-0.00002072,0.00000442,0.00004512,-0.00003038,-0.00000016,0.00001482,
 0.00002552,0.00000573,-0.00000423,0.00004259,-0.00000021,0.00000537,-0
 .00487117,-0.04475621,-0.11603884,0.00164283,-0.02156900,-0.02589656,-
 0.00094860,-0.00281247,0.00225216,0.00259862,-0.00012506,-0.00279767,0
 .00006342,-0.00000768,-0.00000058,-0.00014250,0.00001915,-0.00027592,-
 0.00008123,-0.00017028,0.00022571,-0.00004040,0.00006769,0.00007088,0.
 00001260,0.00000346,0.00000691,0.00002160,0.00000642,-0.00001091,0.000
 00809,-0.00000003,-0.00001222,-0.00001368,0.00000453,-0.00001798,-0.00
 001011,-0.00000503,0.00002527,0.00001198,-0.00000467,-0.00000304,-0.00
 001592,0.00000944,0.00001044,-0.00001175,-0.00000434,-0.00000647,0.000
 00864,-0.00000236,-0.00000692,0.00194337,0.00966652,0.01072668,-0.0104
 9984,-0.05936152,0.52859263,-0.00010714,0.00004010,-0.00007432,-0.0000
 5156,0.00007082,-0.00004583,0.00011197,-0.00007774,-0.00010680,0.00080
 161,-0.00020311,-0.00066890,0.00000105,-0.00019422,-0.00004702,0.00007
 118,-0.00001205,0.00008975,-0.00000614,-0.00001656,-0.00004184,-0.0000
 2594,0.00002548,0.00004454,0.00000644,-0.00000478,-0.00001956,0.000006
 09,-0.00001724,-0.00001358,0.00475563,0.00340585,0.00203911,-0.0099538
 9,0.00422124,0.01879120,-0.00279075,-0.00503462,-0.00448533,-0.1723145
 4,-0.03810311,0.21173122,-0.00000841,0.00000156,0.00001806,-0.00003849
 ,0.00008969,0.00005525,-0.00000371,0.00002691,-0.00001798,0.00000769,0
 .00001999,0.00001612,0.00001132,0.00000482,0.00000761,0.00000502,0.000
 00366,0.00000654,0.00002844,-0.00000681,-0.00000685,-0.00000842,0.0000
 0569,0.00000071,-0.00000498,0.00001195,0.00001859,0.00002006,-0.000008
 45,-0.00001057,-0.00000570,0.00000821,0.00001959,-0.00000683,0.0000024
 1,0.00000456,0.00001981,-0.00000722,-0.00001116,0.00023650,-0.00053055
 ,-0.00027026,-0.00096057,-0.00050695,0.00062117,0.18016562,-0.00001383
 ,-0.00005191,0.00002980,0.00001951,-0.00000843,-0.00002241,-0.00000991
 ,0.00010444,0.00005839,-0.00002857,-0.00008556,-0.00007362,0.00001853,
 0.00003352,0.00000947,-0.00001536,-0.00001053,-0.00001658,0.00000966,0
 .00001386,0.00002747,0.00000426,-0.00001022,-0.00002299,0.00000426,0.0
 0000190,0.00001061,0.00000353,0.00001052,0.00000895,0.00055205,-0.0051
 8401,-0.00127538,0.03194713,0.00944756,-0.04233458,-0.00441545,0.00069
 391,0.00634344,-0.06499874,-0.06432737,0.08769853,0.00000003,0.0000109
 5,-0.00000361,0.00008243,-0.00009714,-0.00001120,0.00003010,0.00002573
 ,-0.00001276,-0.00002485,-0.00001265,0.00000824,-0.00001843,-0.0000154
 1,0.00000112,-0.00000840,0.00000835,-0.00000531,-0.00001927,0.00000277
 ,0.00000264,0.00000562,-0.00000245,0.00000199,-0.00000153,-0.00000537,
 -0.00001378,-0.00001018,0.00000156,0.00000428,0.00000029,-0.00000406,-
 0.00001197,0.00000252,-0.00000611,-0.00000198,-0.00000929,0.00000386,0
 .00000336,-0.00023610,0.00016344,0.00003683,0.00083966,0.00048368,-0.0
 0100995,0.03634809,0.05916232,-0.00005529,-0.00007483,-0.00000399,0.00
 000046,0.00002227,-0.00005436,0.00004290,0.00004797,0.00008751,0.00046
 263,0.00009964,-0.00041009,0.00005940,0.00004757,0.00004549,0.00002998
 ,0.00001223,0.00003146,0.00000770,0.00000277,0.00002501,-0.00000476,-0
 .00000624,-0.00001268,0.00000702,-0.00000129,0.00000978,0.00000749,0.0
 0000420,0.00000447,0.00114371,-0.00298687,0.00221555,0.01980739,-0.004
 50983,-0.02231884,-0.00485437,0.00686329,0.00055389,0.21111238,0.05018
 620,-0.30480544,-0.00002188,0.00002054,0.00000074,0.00007693,-0.000051
 87,0.00004973,0.00001351,0.00000176,-0.00002863,-0.00000980,-0.0000038
 8,0.00001319,-0.00001429,-0.00001071,0.00000268,-0.00001239,0.00001248
 ,-0.00000970,-0.00001292,0.00000154,0.00000081,0.00000156,0.00000164,-
 0.00000329,-0.00000287,-0.00000316,-0.00000683,-0.00000372,-0.00000019
 ,0.00000069,-0.00000312,-0.00000293,-0.00000653,0.00000193,-0.00000170
 ,-0.00000036,-0.00000320,0.00000169,-0.00000026,-0.00047898,-0.0001903
 9,0.00063613,0.00057839,0.00000369,0.00010901,-0.22781717,-0.04920635,
 0.32408799,-0.00023384,0.00000907,0.00001684,0.00001953,0.00014798,-0.
 00006836,-0.00005155,-0.00009152,-0.00002726,0.00062295,-0.00044982,0.
 00092681,-0.00026764,-0.00013397,0.00003055,0.00020825,-0.00004137,0.0
 0004125,-0.00000392,0.00000380,-0.00003381,0.00000469,-0.00000315,0.00
 001759,-0.00002097,0.00000066,-0.00001681,-0.00000385,-0.00000187,-0.0
 0000530,-0.00041900,-0.00319244,0.00176946,0.00050417,0.00206552,-0.00
 068195,-0.00037935,-0.00085767,0.00000947,0.00009991,-0.00079387,-0.00
 005215,0.00002293,-0.00001692,-0.00001301,0.00001579,-0.00012667,-0.00
 053838,-0.00001441,0.00007139,-0.00001536,0.00001122,0.00001241,0.0000
 0816,0.00000879,0.00000814,0.00000010,0.00000301,-0.00000484,0.0000042
 1,0.00001274,0.00000456,-0.00000077,-0.00000048,0.00000210,0.00000256,
 0.00000249,-0.00000155,0.00000905,0.00000843,-0.00000102,-0.00000234,0
 .00000159,-0.00000258,0.00000896,0.00000039,0.00000568,0.00000243,0.00
 000554,-0.00000357,-0.00000159,0.00054477,-0.00068812,-0.00035696,-0.0
 5595489,0.04246688,-0.02343396,-0.00005952,0.00007983,0.00007631,0.056
 23864,-0.00056288,0.00016208,-0.00014722,0.00007612,0.00037617,-0.0002
 5128,-0.00010812,-0.00014232,0.00060869,0.00159184,0.00107423,0.000781
 56,-0.00063762,-0.00028585,0.00011497,0.00043613,0.00000855,0.00020137
 ,-0.00000204,0.00002688,-0.00005017,0.00000484,-0.00000568,0.00000720,
 -0.00001188,-0.00000444,-0.00000952,-0.00000176,-0.00000327,-0.0000052
 7,0.00477591,-0.02483634,0.01030156,-0.00158315,-0.00219113,0.00237945
 ,0.00004735,0.00239000,0.00007718,0.00019138,0.00071921,-0.00024033,-0
 .00003669,-0.00000571,0.00000630,0.00008177,0.00036062,-0.00050258,0.0
 0005524,0.00014368,-0.00010131,0.00000189,-0.00001577,-0.00002213,0.00
 000645,0.00000411,-0.00000301,-0.00001009,-0.00000667,0.00000086,0.000
 00562,0.00000211,-0.00000026,-0.00000122,0.00000209,-0.00000037,0.0000
 0034,-0.00000032,0.00000594,0.00000541,-0.00000017,-0.00000111,0.00000
 171,-0.00000113,0.00000769,0.00000047,0.00000425,0.00000200,0.00000495
 ,-0.00000247,0.00000091,-0.00076080,-0.00238043,-0.00400670,0.04215858
 ,-0.24615213,0.10819328,0.00008758,-0.00000951,-0.00011211,-0.04584011
 ,0.27040018,-0.00016433,0.00007103,-0.00015556,0.00006243,0.00024011,-
 0.00006892,0.00007446,-0.00050756,0.00007361,0.00070560,0.00069850,0.0
 0106615,-0.00035405,-0.00010044,0.00007891,0.00022254,-0.00005182,0.00
 013855,0.00000256,0.00000923,-0.00003499,-0.00000164,0.00001705,0.0000
 1067,0.00002000,-0.00000461,0.00000466,0.00000248,-0.00000751,0.000000
 44,0.00390298,-0.02063908,0.01040922,0.00048335,-0.00087906,0.00114898
 ,0.00005153,0.00025489,-0.00089741,-0.00019190,0.00070909,0.00031321,-
 0.00000601,-0.00002024,-0.00000930,-0.00048876,-0.00013770,-0.00060890
 ,0.00005161,0.00004048,-0.00006811,0.00000580,-0.00000094,-0.00000258,
 0.00000820,-0.00000235,-0.00000186,-0.00000281,-0.00000157,0.00000450,
 0.00000492,-0.00000923,-0.00000378,-0.00000452,-0.00000015,-0.00000168
 ,-0.00000737,0.00000800,0.00000333,0.00000528,-0.00000172,-0.00000289,
 -0.00000234,0.00000809,0.00000192,-0.00000357,-0.00000498,-0.00000114,
 0.00000554,0.00000046,-0.00000201,-0.00033588,-0.00379231,-0.00288107,
 -0.02426194,0.11177664,-0.10654656,0.00007426,0.00005702,-0.00014498,0
 .02710334,-0.11724527,0.11493698,-0.00001055,-0.00012205,0.00003829,0.
 00004912,-0.00007440,0.00003934,0.00033392,-0.00039123,0.00012782,0.00
 032584,-0.00076652,-0.00050548,0.00039706,0.00027700,-0.00035261,-0.00
 017753,0.00012555,-0.00005425,-0.00000417,0.00003145,0.00005741,0.0000
 1305,-0.00002939,-0.00005362,0.00001114,0.00000224,0.00002602,0.000009
 46,0.00001763,0.00001729,-0.00110560,0.00039357,0.00020304,-0.00007728
 ,-0.00077648,0.00074340,0.00050860,0.00060676,-0.00007391,0.00015259,0
 .00004387,-0.00029807,-0.00001615,0.00002277,0.00000120,-0.00005086,0.
 00001474,0.00008399,-0.00001186,-0.00002169,0.00001184,-0.00002637,-0.
 00000713,0.00001193,-0.00002108,-0.00001245,-0.00000831,-0.00002037,0.
 00000225,-0.00001609,-0.00003345,0.00000597,0.00000610,0.00000289,-0.0
 0000347,-0.00000709,0.00000221,-0.00001373,-0.00001518,-0.00001904,0.0
 0000719,0.00000809,0.00000284,-0.00000374,-0.00002153,0.00000259,-0.00
 000623,-0.00000671,-0.00001932,0.00000682,0.00000812,0.00024735,-0.000
 56517,-0.00000572,-0.27546785,-0.00524270,-0.08938228,0.00000738,-0.00
 003846,-0.00006620,-0.00505192,0.00009613,-0.00127269,0.29783360,-0.00
 032519,0.00015088,0.00024667,-0.00002576,0.00003849,-0.00015095,-0.000
 21880,-0.00011911,0.00020151,0.00115650,-0.00344277,-0.00312608,-0.000
 67218,0.00015957,-0.00033814,-0.00007121,0.00013725,0.00032890,0.00002
 357,0.00002855,0.00001851,0.00001769,-0.00003768,-0.00005282,-0.000023
 49,-0.00000454,0.00000936,-0.00001228,0.00001751,0.00000296,-0.0245509
 4,-0.00167325,-0.01050213,-0.00067715,0.00070313,0.00063657,-0.0000177
 1,0.00016185,-0.00017151,0.00013789,-0.00022398,0.00016800,-0.00004854
 ,0.00001844,-0.00001615,0.00010023,0.00002614,-0.00046035,0.00005283,-
 0.00011657,-0.00009994,-0.00007487,-0.00002920,-0.00002189,-0.00002234
 ,-0.00001271,-0.00000972,-0.00002771,0.00000193,-0.00002055,-0.0000269
 4,0.00001345,0.00001334,0.00000466,-0.00000155,-0.00000227,0.00000772,
 -0.00001290,-0.00000861,-0.00000996,0.00000905,0.00000555,0.00000909,-
 0.00000789,-0.00001245,0.00000642,0.00000093,-0.00000235,-0.00001277,0
 .00000219,0.00000905,-0.00019010,0.00085075,0.00096584,-0.00402056,-0.
 04734617,-0.00142512,-0.00006344,0.00000983,-0.00001255,0.02670161,0.0
 0186357,0.00932706,0.00620538,0.04996234,0.00023441,0.00005451,0.00009
 900,-0.00005013,-0.00031343,0.00007917,-0.00029258,-0.00015970,0.00003
 368,0.00029347,-0.00359939,-0.00161971,-0.00028235,0.00026504,-0.00047
 958,-0.00047344,0.00010040,0.00007866,0.00001635,0.00002953,0.00005974
 ,0.00001296,-0.00003517,-0.00005610,-0.00001685,-0.00000302,0.00001544
 ,-0.00001648,0.00001903,0.00000502,-0.01871681,0.00028490,-0.00894891,
 -0.00198426,-0.00106364,0.00068320,0.00100208,0.00089442,0.00013156,0.
 00011171,0.00029975,0.00005071,-0.00002071,0.00001263,-0.00003763,0.00
 003898,0.00005232,0.00015334,0.00006838,-0.00010619,-0.00007035,-0.000
 09442,0.00000352,0.00002078,-0.00001865,-0.00001126,-0.00000238,-0.000
 02200,0.00000732,-0.00002003,-0.00003126,0.00001168,0.00001430,0.00000
 832,-0.00000206,-0.00000002,0.00000930,-0.00000929,-0.00001675,-0.0000
 1482,0.00000905,0.00000693,0.00000667,-0.00001267,-0.00001932,0.000010
 80,0.00000166,-0.00000077,-0.00001742,0.00000506,0.00000805,0.00041534
 ,0.00020895,0.00082582,-0.08737855,-0.00204069,-0.08279086,-0.00004562
 ,-0.00005322,-0.00007417,-0.01404994,-0.00086694,-0.00579175,0.0985021
 8,0.00581596,0.08684529,-0.00012061,0.00002244,0.00007466,0.00000207,0
 .00005096,-0.00001235,0.00021339,0.00003018,0.00003704,0.00074209,0.00
 024579,-0.00092313,0.00024739,-0.00010373,0.00013751,0.00002648,0.0000
 5816,0.00004361,0.00000156,-0.00002027,-0.00003542,-0.00000040,0.00000
 996,0.00002266,-0.00000540,-0.00000195,-0.00000856,-0.00000391,-0.0000
 0454,-0.00000887,0.00175140,0.00067243,-0.00373431,-0.00002021,-0.0015
 2977,-0.00101221,0.00046386,0.00054800,0.00013562,0.00030649,0.0001367
 7,-0.00013688,0.00000834,-0.00000368,0.00000722,0.00004269,-0.00004298
 ,-0.00004156,0.00000899,0.00001462,-0.00000650,0.00002735,0.00000782,0
 .00000679,0.00000596,0.00000391,0.00000229,0.00000635,-0.00000091,0.00
 000485,0.00001340,-0.00000219,-0.00000280,-0.00000012,0.00000215,0.000
 00204,0.00000224,0.00000514,0.00000728,0.00000906,-0.00000312,-0.00000
 288,-0.00000273,0.00000096,0.00001043,0.00000069,0.00000335,0.00000400
 ,0.00000998,-0.00000314,-0.00000282,-0.00000056,0.00039116,0.00023366,
 -0.15971787,-0.01863039,0.13049926,0.00009076,-0.00009910,-0.00006877,
 0.00412549,-0.00007335,-0.00568903,-0.01778624,-0.00333161,0.02279533,
 0.16955200,0.00027243,0.00012384,-0.00012108,0.00002561,-0.00016193,0.
 00008224,-0.00030705,-0.00008144,0.00010403,0.00107123,0.00092442,0.00
 071835,0.00008784,0.00017931,0.00017277,-0.00017075,-0.00006540,-0.000
 08657,-0.00001309,-0.00000516,0.00000370,-0.00001210,0.00002118,0.0000
 1153,0.00002367,-0.00000164,0.00000100,0.00000526,-0.00001074,-0.00000
 175,0.01646929,0.00134950,-0.02250765,-0.00328901,-0.00541942,-0.00120
 770,0.00049500,0.00160131,0.00035000,0.00137962,0.00006422,-0.00144380
 ,-0.00001406,-0.00000243,0.00001413,-0.00004663,0.00006065,0.00000956,
 0.00002266,-0.00009438,0.00001648,-0.00000509,0.00000623,-0.00001189,0
 .00001113,0.00000275,0.00000215,0.00001048,-0.00000118,0.00000610,0.00
 000793,-0.00000969,-0.00000438,-0.00000640,-0.00000102,-0.00000299,-0.
 00000910,0.00000950,0.00000929,0.00000933,-0.00000266,-0.00000274,-0.0
 0000482,0.00001325,0.00000498,-0.00000638,-0.00000608,-0.00000261,0.00
 000989,-0.00000027,-0.00000339,0.00038715,0.00087227,0.00080520,-0.019
 35069,-0.04970172,0.02390610,0.00041281,-0.00034746,-0.00015459,-0.019
 32858,-0.00149440,0.02018887,0.00021553,-0.00112755,0.00020096,0.02164
 691,0.05330614,0.00006248,-0.00001862,-0.00003464,-0.00004818,-0.00008
 990,0.00001314,-0.00043450,0.00054124,-0.00017381,0.00130825,0.0007371
 0,0.00108700,-0.00034566,-0.00009934,0.00023176,-0.00013542,-0.0000727
 3,-0.00006642,-0.00001113,-0.00001506,-0.00000643,0.00000790,0.0000001
 8,0.00000467,-0.00003152,-0.00000348,-0.00001634,-0.00002845,-0.000003
 26,-0.00001481,0.01234816,0.00242795,-0.01711368,-0.00151937,-0.002733
 92,-0.00045046,0.00024022,-0.00044749,-0.00006206,0.00108168,-0.000515
 81,-0.00140014,0.00000125,-0.00000860,-0.00001691,0.00008720,-0.000121
 21,0.00009624,0.00002521,-0.00003210,-0.00004885,-0.00000626,0.0000008
 2,-0.00001083,0.00000566,0.00000815,0.00000187,0.00000928,-0.00000430,
 0.00000898,0.00001054,0.00000395,0.00000745,0.00000702,-0.00000006,0.0
 0001235,0.00000963,0.00000688,-0.00000091,0.00000512,0.00000063,-0.000
 00109,0.00000601,-0.00000558,0.00000758,0.00000612,0.00000767,0.000006
 33,0.00000485,-0.00000283,0.00000038,-0.00007148,-0.00007386,0.0008545
 7,0.12807450,0.02223533,-0.19727330,0.00014449,-0.00022643,0.00000602,
 0.00927087,0.00087664,-0.01096764,-0.00774631,-0.00131568,0.01081763,-
 0.14233818,-0.02105629,0.21450235\\0.00000118,-0.00000128,0.00000005,0
 .00000117,-0.00000055,-0.00000024,0.00000069,0.00000064,0.00000233,-0.
 00000606,-0.00000304,-0.00000364,0.00000477,-0.00000052,-0.00000178,-0
 .00000361,0.00000022,-0.00000092,0.00000028,0.00000069,-0.00000201,-0.
 00000242,-0.00000126,0.00000104,0.00000138,0.00000385,0.00000066,-0.00
 000064,0.00000014,0.00000231,0.00000606,0.00000465,0.00000754,-0.00000
 025,0.00000167,-0.00000320,-0.00000083,-0.00000140,0.00000076,-0.00000
 022,-0.00000214,-0.00000131,-0.00000091,0.00000148,0.00000038,-0.00000
 064,0.00000012,-0.00000002,-0.00000093,0.00000030,-0.00000016,0.000000
 87,0.00000055,-0.00000017,-0.00000035,0.00000016,-0.00000002,-0.000000
 33,0.00000098,0.00000191,0.00000021,-0.00000024,-0.00000061,-0.0000007
 4,-0.00000027,0.00000070,0.00000025,-0.00000129,0.00000026,0.00000037,
 -0.00000034,0.00000051,0.00000068,0.00000028,-0.00000067,-0.00000024,-
 0.00000008,-0.00000008,0.00000007,-0.00000008,-0.00000045,-0.00000064,
 0.00000042,-0.00000068,0.00000126,-0.00000421,-0.00000310,-0.00000091,
 0.00000047,-0.00000005,0.00000105,0.00000010,0.00000050,-0.00000042,-0
 .00000042,0.00000017,-0.00000016,0.00000042,-0.00000003\\\@


 WE TEND TO MEET ANY NEW SITUATION BY REORGANIZING. IT CAN BE A
 WONDERFUL METHOD FOR CREATING THE ILLUSION OF PROGRESS WHILE PRODUCING
 CONFUSION, INEFFICIENCY, AND DEMORALIZATION.
     -- PETRONIUS ARBITER, 210 B.C.
 Job cpu time:       0 days 10 hours 40 minutes 57.6 seconds.
 Elapsed time:       0 days  1 hours 20 minutes 12.1 seconds.
 File lengths (MBytes):  RWF=    604 Int=      0 D2E=      0 Chk=     24 Scr=      2
 Normal termination of Gaussian 16 at Wed Sep  8 13:49:53 2021.
